3-Cyclopropyl-1H-pyrazole

C₆H₈N₂CAS 100114-57-6108.14 g/mol

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Properties

Molecular formula: C₆H₈N₂
Molar mass: 108.14 g/mol
Exact mass: 108.0687 Da
logP: 1.29Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

100114-57-6

SMILES

C1CC1C2=CC=NN2

InChIKey

TXWDVWSJMDFNQY-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2/c1-2-5(1)6-3-4-7-8-6/h3-5H,1-2H2,(H,7,8)

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Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 100114-57-6. Each row opens the sheet with its composition and PDF.

3-Cyclopropyl-1H-pyrazole ≤ 100 %Fisher Scientific · 2025-12-23

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Work with 3-Cyclopropyl-1H-pyrazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-(1-Methylethyl)-pyrazole49633-25-254 % similar 3-Cyclopropyl-1H-pyrazol-5-amine175137-46-939 % similar (1H-Pyrazol-3-yl)methanol23585-49-138 % similar 3-Chloro-1H-pyrazole14339-33-437 % similar 3-Bromo-1H-pyrazole14521-80-337 % similar 3-Iodo-1H-pyrazole4522-35-437 % similar 3-(Trifluoromethyl)pyrazole20154-03-433 % similar 1H-Pyrazole-5-boronic acid376584-63-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylhydrazine100-63-0 P-Phenylenediamine106-50-3 M-Phenylenediamine108-45-2 2,6-Dimethylpyrazine108-50-9 Adiponitrile111-69-3 4-(Methylamino)pyridine1121-58-0 2,5-Dimethylpyrazine123-32-0 2-Ethylpyrazine13925-00-3

Elsewhere

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