5-(2-Methylpropyl)-1-phenyl-1H-pyrazole

C₁₃H₁₆N₂CAS 3191-86-4200.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₆N₂
Molar mass: 200.29 g/mol
Exact mass: 200.1313 Da
Boiling point: 115–120 °C (at 0.1 Torr)
logP: 3.07Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

3191-86-4

SMILES

CC(C)Cc1ccnn1-c1ccccc1

InChIKey

HROKYPLYBSHRSM-UHFFFAOYSA-N

InChI

InChI=1S/C13H16N2/c1-11(2)10-13-8-9-14-15(13)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3

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Names and synonyms

3 names

1H-Pyrazole, 5-(2-methylpropyl)-1-phenyl-
Pyrazole, 5-isobutyl-1-phenyl-
5-Isobutyl-1-phenyl-1H-pyrazole

Work with 5-(2-Methylpropyl)-1-phenyl-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

Isobutylbenzene538-93-247 % similar 2-Isobutylpyridine6304-24-141 % similar 1-Phenyl-2-propanol14898-87-435 % similar (S)-1-Phenyl-2-propanol1517-68-635 % similar (R)-1-Phenyl-2-propanol1572-95-835 % similar 1-Phenyl-2-propanol698-87-335 % similar Isopentylbenzene2049-94-733 % similar 2-Isobutylquinoline93-19-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Medetomidine106807-72-1 Dexmedetomidine113775-47-6 3-(4-Piperidinyl)-1H-indole17403-09-7 (+-)-Tetrahydrozoline84-22-0 Medetomidine86347-14-0

Elsewhere

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