3-(1-Methylethyl)-pyrazole

C6H10N2CAS 49633-25-2110.16 g/mol

Open in Covalent MOL file
NHN

Properties

Molecular formula
C6H10N2
Molar mass
110.16 g/mol
Exact mass
110.0844 Da
logP
1.53Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number
49633-25-2
SMILES
CC(C)C1=CC=NN1
InChIKey
ZICRALLMHKILDG-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N2/c1-5(2)6-3-4-7-8-6/h3-5H,1-2H3,(H,7,8)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 3-(Propan-2-YL)-1H-pyrazole

Work with 3-(1-Methylethyl)-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-Cyclopropyl-1H-pyrazole100114-57-654 % similar 3-Chloro-1H-pyrazole14339-33-437 % similar 3-Bromo-1H-pyrazole14521-80-337 % similar 3-Iodo-1H-pyrazole4522-35-437 % similar 4-Isopropylpyridine696-30-037 % similar 4-Methylpyridazin-3-ol33471-40-835 % similar 3-Pyridazinamine5469-70-534 % similar 4-Isopropyl-1H-pyrazol-3-amine151521-49-234 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3,5-Trimethylpyrazole1072-91-9 1-Isopropyl-1H-pyrazole18952-87-9 N-Ethyl-2-methylimidazole21202-52-8 Pyrrolidine-1-acetonitrile29134-29-0 1-Propylimidazole35203-44-2 2-Isopropylimidazole36947-68-9 4-Cyanopiperidine4395-98-6 1-(1-Methylethyl)-1H-imidazole4532-96-1

Elsewhere

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