2-[1-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]benzoic acid

C23H23ClN4O3 — CID 46244285

IUPAC2-[1-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]benzoic acid
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2)c1-c1ccccc1C(=O)O
InChIInChI=1S/C23H23ClN4O3/c1-15-20(22(29)26-27-13-5-2-6-14-27)25-28(17-11-9-16(24)10-12-17)21(15)18-7-3-4-8-19(18)23(30)31/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,26,29)(H,30,31)
InChIKeyFNNJZMAPZOOZCZ-UHFFFAOYSA-N
MW438.92 g/mol
LogP4.33
Rot. Bonds5

About 2-[1-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]benzoic acid

2-[1-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]benzoic acid (PubChem CID 46244285) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]benzoic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]benzoic acid
PubChem CID46244285
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name2-[1-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]benzoic acid
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2)c1-c1ccccc1C(=O)O
InChIInChI=1S/C23H23ClN4O3/c1-15-20(22(29)26-27-13-5-2-6-14-27)25-28(17-11-9-16(24)10-12-17)21(15)18-7-3-4-8-19(18)23(30)31/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,26,29)(H,30,31)
InChIKeyFNNJZMAPZOOZCZ-UHFFFAOYSA-N
XLogP4.33
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-4-methyl-1-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 86271988
2-[4-[5-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-1-yl]phenoxy]acetic acid
CID 59217895
1-(2,4-dichlorophenyl)-5-(2-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 10650406
5-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide
CID 24881410
2-[3-chloro-4-[1-(4-chloro-2-methylphenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]anilino]acetic acid
CID 46244728
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;sulfuric acid
CID 25026422
1-(3,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 24768474
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 24748218
4-[4-[1-(2,4-dichlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]phenyl]benzoic acid
CID 155542177
N-(azepan-1-yl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 10506183
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;hydrochloride
CID 46837031
1,5-bis(4-chlorophenyl)-4-methylpyrazole-3-carboxylic acid
CID 66641410

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]benzoic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]benzoic acid (CID 46244285) is 2-[1-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]benzoic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]benzoic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]benzoic acid is Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2)c1-c1ccccc1C(=O)O.
What is the InChIKey of 2-[1-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]benzoic acid?
The InChIKey is FNNJZMAPZOOZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-15-20(22(29)26-27-13-5-2-6-14-27)25-28(17-11-9-16(24)10-12-17)21(15)18-7-3-4-8-19(18)23(30)31/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,26,29)(H,30,31).
What are the key properties of 2-[1-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]benzoic acid?
2-[1-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]benzoic acid has a molecular weight of 438.92 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]benzoic acid is sourced from PubChem (CID 46244285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).