4-bromo-1-(2-methylcyclopentyl)-3,5-diphenylpyrazole

C21H21BrN2 — CID 10249255

IUPAC4-bromo-1-(2-methylcyclopentyl)-3,5-diphenylpyrazole
SMILESCC1CCCC1n1nc(-c2ccccc2)c(Br)c1-c1ccccc1
InChIInChI=1S/C21H21BrN2/c1-15-9-8-14-18(15)24-21(17-12-6-3-7-13-17)19(22)20(23-24)16-10-4-2-5-11-16/h2-7,10-13,15,18H,8-9,14H2,1H3
InChIKeyOQTUNGDWYJZXRH-UHFFFAOYSA-N
MW381.32 g/mol
LogP6.34
Rot. Bonds3

About 4-bromo-1-(2-methylcyclopentyl)-3,5-diphenylpyrazole

4-bromo-1-(2-methylcyclopentyl)-3,5-diphenylpyrazole (PubChem CID 10249255) has the molecular formula C21H21BrN2 and a molecular weight of 381.32 g/mol. Its IUPAC name is 4-bromo-1-(2-methylcyclopentyl)-3,5-diphenylpyrazole.

Molecular Properties

Compound Name4-bromo-1-(2-methylcyclopentyl)-3,5-diphenylpyrazole
PubChem CID10249255
Molecular FormulaC21H21BrN2
Molecular Weight381.32 g/mol
Exact Mass380.09
IUPAC Name4-bromo-1-(2-methylcyclopentyl)-3,5-diphenylpyrazole
SMILESCC1CCCC1n1nc(-c2ccccc2)c(Br)c1-c1ccccc1
InChIInChI=1S/C21H21BrN2/c1-15-9-8-14-18(15)24-21(17-12-6-3-7-13-17)19(22)20(23-24)16-10-4-2-5-11-16/h2-7,10-13,15,18H,8-9,14H2,1H3
InChIKeyOQTUNGDWYJZXRH-UHFFFAOYSA-N
XLogP6.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.32
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-cyclobutyl-3,5-bis(4-methoxyphenyl)pyrazole
CID 22725477
3-bromo-7-(dimethoxymethyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841619
ethyl 1-[(1R,2R)-2-methylcyclohexyl]-5-phenylimidazole-4-carboxylate
CID 70278098
(7R)-3-bromo-2-(4-fluorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 175714245
[3-(2-methylcyclopentyl)imidazol-4-yl]-phenylmethanamine
CID 114706106
5-methyl-2,3-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 13126838
1-cyclohexyl-4,5-diphenyltriazole
CID 165349356
4-bromo-5-(3-methylphenyl)-3-phenyl-1-tritylpyrazole
CID 54494699
N-(2,6-dimethylcyclohexyl)-4-phenylaniline
CID 43716849
3-amino-1-[(1S,2S)-2-methylcyclopentyl]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137217642
5-bromo-2-cyclobutyl-N-methyl-6-phenylpyrimidin-4-amine
CID 66294324
1-[(1R,2S)-2-methylcyclopentyl]pyrrole
CID 121227210

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-methylcyclopentyl)-3,5-diphenylpyrazole?
The IUPAC name of 4-bromo-1-(2-methylcyclopentyl)-3,5-diphenylpyrazole (CID 10249255) is 4-bromo-1-(2-methylcyclopentyl)-3,5-diphenylpyrazole.
What is the SMILES notation for 4-bromo-1-(2-methylcyclopentyl)-3,5-diphenylpyrazole?
The canonical SMILES for 4-bromo-1-(2-methylcyclopentyl)-3,5-diphenylpyrazole is CC1CCCC1n1nc(-c2ccccc2)c(Br)c1-c1ccccc1.
What is the InChIKey of 4-bromo-1-(2-methylcyclopentyl)-3,5-diphenylpyrazole?
The InChIKey is OQTUNGDWYJZXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2/c1-15-9-8-14-18(15)24-21(17-12-6-3-7-13-17)19(22)20(23-24)16-10-4-2-5-11-16/h2-7,10-13,15,18H,8-9,14H2,1H3.
What are the key properties of 4-bromo-1-(2-methylcyclopentyl)-3,5-diphenylpyrazole?
4-bromo-1-(2-methylcyclopentyl)-3,5-diphenylpyrazole has a molecular weight of 381.32 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-methylcyclopentyl)-3,5-diphenylpyrazole is sourced from PubChem (CID 10249255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).