3-(4-bromophenyl)-1-cyclohexylpyrazole-4-carboxylic acid

C16H17BrN2O2 — CID 61272209

IUPAC3-(4-bromophenyl)-1-cyclohexylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CCCCC2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O2/c17-12-8-6-11(7-9-12)15-14(16(20)21)10-19(18-15)13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,20,21)
InChIKeyAHNHZLMDLMHSGP-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.52
Rot. Bonds3

About 3-(4-bromophenyl)-1-cyclohexylpyrazole-4-carboxylic acid

3-(4-bromophenyl)-1-cyclohexylpyrazole-4-carboxylic acid (PubChem CID 61272209) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-cyclohexylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-cyclohexylpyrazole-4-carboxylic acid
PubChem CID61272209
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name3-(4-bromophenyl)-1-cyclohexylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CCCCC2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O2/c17-12-8-6-11(7-9-12)15-14(16(20)21)10-19(18-15)13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,20,21)
InChIKeyAHNHZLMDLMHSGP-UHFFFAOYSA-N
XLogP4.52
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-(4-methylphenyl)pyrazole-4-carboxylic acid
CID 61272403
3-(3-chlorophenyl)-1-cyclohexylpyrazole-4-carboxylic acid
CID 61273228
1-cyclohexyl-3-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid
CID 64993558
3-tert-butyl-1-cyclohexylpyrazole-4-carboxylic acid
CID 61270272
1-cyclopentyl-3-(5-ethylthiophen-2-yl)pyrazole-4-carboxylic acid
CID 61334937
1-cyclopentyl-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxylic acid
CID 61264746
3-(4-bromophenyl)-4-cyano-1-cyclopentylpyrazole-5-carboxylic acid
CID 166732147
4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)piperidine-1-carboxylic acid
CID 90780421
1-cyclohexyl-3-methylpyrazole-4-carbonyl chloride
CID 83814232
(3-amino-1-cyclopentylpyrazol-4-yl)-piperidin-1-ylmethanone
CID 146680609
N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide
CID 42285003
4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid
CID 170350484

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-cyclohexylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(4-bromophenyl)-1-cyclohexylpyrazole-4-carboxylic acid (CID 61272209) is 3-(4-bromophenyl)-1-cyclohexylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-bromophenyl)-1-cyclohexylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(4-bromophenyl)-1-cyclohexylpyrazole-4-carboxylic acid is O=C(O)c1cn(C2CCCCC2)nc1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-cyclohexylpyrazole-4-carboxylic acid?
The InChIKey is AHNHZLMDLMHSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c17-12-8-6-11(7-9-12)15-14(16(20)21)10-19(18-15)13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,20,21).
What are the key properties of 3-(4-bromophenyl)-1-cyclohexylpyrazole-4-carboxylic acid?
3-(4-bromophenyl)-1-cyclohexylpyrazole-4-carboxylic acid has a molecular weight of 349.23 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-cyclohexylpyrazole-4-carboxylic acid is sourced from PubChem (CID 61272209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).