Pyrazole
An aromatic compound, C3H4N2, 68.079 g/mol. Boiling point 187 °C, melting point 68 °C, as published.
Identifiers
- Molecular formula
- C₃H₄N₂
- Molecular weight
- 68.079 g/mol
- Exact mass
- 68.037448 g/mol
- IUPAC name
- 1H-pyrazole
- c1cn[nH]c1
- InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
- WTKZEGDFNFYCGP-UHFFFAOYSA-N
Measured properties
- Boiling Point
- 187 °C
- Melting Point
- 68 °C
- Solubility
- 19400 mg/L (at 25 °C)
- Vapor Pressure
- 1.19 [mmHg]
- LogP
- 0.26
- 0.13
Calculated properties
- Molecular weight
- 68.08 g/mol
- Exact mass
- 68.037448136 Da
- XLogP3
- 0.3
- Polar surface area
- 28.7 Ų
- Complexity
- 28
- H-bond donors
- 1
- H-bond acceptors
- 1
- logP
- 0.4097
- Topological polar surface area
- 28.68 Ų
- H-bond donors
- 1
- H-bond acceptors
- 1
- Rotatable bonds
- 0
- Molar refractivity
- 18.5877 cm³/mol
- Fraction sp³ carbons
- 0
- QED drug-likeness
- 0.4683
What it is made of
Elements
Structure
- Heavy atoms, hydrogen excluded
- 5
- Total atoms, hydrogen included
- 9
- Rings
- 1
- Aromatic rings
- 1
- Stereocentres
- 0
- Formal charge
- 0
Functional groups
Aromatic ring (five-membered)
The molecule in three dimensions
The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.
Reactions it appears in
Other names for it
The systematic name on this record is 1H-pyrazole.
The sources also call it 1H-Pyrazole, 1,2-diazole, Pyrazol, 1H-pyrazol, 3QD5KJZ7ZJ, DTXSID2059774, NSC45410, NSC-45410, CHEBI:17241, RefChem:6183, DTXCID4037873.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Pyrazole. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
1,4-Dioxane
used as a reactant
C₄H₈O₂, 88.106 g/mol.
(4-Pyrazol-1-yl-2-trifluoromethyl-phenyl)-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanone
formed as a product
C₂₃H₁₇F₃N₄O, 422.41 g/mol.
(4-fluoro-2-trifluoromethyl-phenyl)(5H, 11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanone
used as a reactant
C₂₀H₁₄F₄N₂O, 374.337 g/mol.
(3-Bromophenyl)acetic acid
used as a reactant
C₈H₇BrO₂, 215.046 g/mol.
(2-Bromopyridin-4-yl)methanol
used as a reactant
C₆H₆BrNO, 188.024 g/mol.
(2-(1H-Pyrazol-1-YL)pyridin-4-YL)methanol
formed as a product
C₉H₉N₃O, 175.191 g/mol.
Where these values came from
chemistry engine
What this page does not claim
Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.
Where to next
More molecules under P
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C3H4N2 in a calculation, with every element's contribution shown.
Molarity calculator
Grams of Pyrazole for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
The full record in the workstation: every atom, every bond, and the reactions it appears in.