4-[4-[cyclohexyl(methyl)carbamoyl]-5-cyclopropylpyrazol-1-yl]benzoic acid

C21H25N3O3 — CID 25005941

IUPAC4-[4-[cyclohexyl(methyl)carbamoyl]-5-cyclopropylpyrazol-1-yl]benzoic acid
SMILESCN(C(=O)c1cnn(-c2ccc(C(=O)O)cc2)c1C1CC1)C1CCCCC1
InChIInChI=1S/C21H25N3O3/c1-23(16-5-3-2-4-6-16)20(25)18-13-22-24(19(18)14-7-8-14)17-11-9-15(10-12-17)21(26)27/h9-14,16H,2-8H2,1H3,(H,26,27)
InChIKeyBHPWDLLCCYERQG-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.85
Rot. Bonds5

About 4-[4-[cyclohexyl(methyl)carbamoyl]-5-cyclopropylpyrazol-1-yl]benzoic acid

4-[4-[cyclohexyl(methyl)carbamoyl]-5-cyclopropylpyrazol-1-yl]benzoic acid (PubChem CID 25005941) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[4-[cyclohexyl(methyl)carbamoyl]-5-cyclopropylpyrazol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-[cyclohexyl(methyl)carbamoyl]-5-cyclopropylpyrazol-1-yl]benzoic acid
PubChem CID25005941
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-[4-[cyclohexyl(methyl)carbamoyl]-5-cyclopropylpyrazol-1-yl]benzoic acid
SMILESCN(C(=O)c1cnn(-c2ccc(C(=O)O)cc2)c1C1CC1)C1CCCCC1
InChIInChI=1S/C21H25N3O3/c1-23(16-5-3-2-4-6-16)20(25)18-13-22-24(19(18)14-7-8-14)17-11-9-15(10-12-17)21(26)27/h9-14,16H,2-8H2,1H3,(H,26,27)
InChIKeyBHPWDLLCCYERQG-UHFFFAOYSA-N
XLogP3.85
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 11474632
4-[4-(2-adamantylcarbamoyl)-5-cyclobutylpyrazol-1-yl]benzoic acid
CID 25007063
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 63173747
N-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide
CID 119655718
(5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone
CID 39992588
2-[[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]-methylamino]acetic acid
CID 119172518
5-cyclopropyl-N-methyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119550146
N-cyclohexyl-N-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57392872
5-amino-N-cyclohexyl-N,1-dimethylpyrazole-4-carboxamide
CID 110485278
5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid
CID 82361438
5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid
CID 28606372
N-(1-cyclopentylpiperidin-4-yl)-4-indazol-1-yl-N-methylbenzamide
CID 25121656

Frequently Asked Questions

What is the IUPAC name of 4-[4-[cyclohexyl(methyl)carbamoyl]-5-cyclopropylpyrazol-1-yl]benzoic acid?
The IUPAC name of 4-[4-[cyclohexyl(methyl)carbamoyl]-5-cyclopropylpyrazol-1-yl]benzoic acid (CID 25005941) is 4-[4-[cyclohexyl(methyl)carbamoyl]-5-cyclopropylpyrazol-1-yl]benzoic acid.
What is the SMILES notation for 4-[4-[cyclohexyl(methyl)carbamoyl]-5-cyclopropylpyrazol-1-yl]benzoic acid?
The canonical SMILES for 4-[4-[cyclohexyl(methyl)carbamoyl]-5-cyclopropylpyrazol-1-yl]benzoic acid is CN(C(=O)c1cnn(-c2ccc(C(=O)O)cc2)c1C1CC1)C1CCCCC1.
What is the InChIKey of 4-[4-[cyclohexyl(methyl)carbamoyl]-5-cyclopropylpyrazol-1-yl]benzoic acid?
The InChIKey is BHPWDLLCCYERQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-23(16-5-3-2-4-6-16)20(25)18-13-22-24(19(18)14-7-8-14)17-11-9-15(10-12-17)21(26)27/h9-14,16H,2-8H2,1H3,(H,26,27).
What are the key properties of 4-[4-[cyclohexyl(methyl)carbamoyl]-5-cyclopropylpyrazol-1-yl]benzoic acid?
4-[4-[cyclohexyl(methyl)carbamoyl]-5-cyclopropylpyrazol-1-yl]benzoic acid has a molecular weight of 367.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[cyclohexyl(methyl)carbamoyl]-5-cyclopropylpyrazol-1-yl]benzoic acid is sourced from PubChem (CID 25005941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).