1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylic acid

C18H11ClN4O3 — CID 10992191

IUPAC1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylic acid
SMILESN#Cc1ccc(NC(=O)c2cc(C(=O)O)nn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H11ClN4O3/c19-12-3-7-14(8-4-12)23-16(9-15(22-23)18(25)26)17(24)21-13-5-1-11(10-20)2-6-13/h1-9H,(H,21,24)(H,25,26)
InChIKeyCOVKRJLNQHQQNC-UHFFFAOYSA-N
MW366.76 g/mol
LogP3.35
Rot. Bonds4

About 1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylic acid

1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylic acid (PubChem CID 10992191) has the molecular formula C18H11ClN4O3 and a molecular weight of 366.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylic acid
PubChem CID10992191
Molecular FormulaC18H11ClN4O3
Molecular Weight366.76 g/mol
Exact Mass366.05
IUPAC Name1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylic acid
SMILESN#Cc1ccc(NC(=O)c2cc(C(=O)O)nn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H11ClN4O3/c19-12-3-7-14(8-4-12)23-16(9-15(22-23)18(25)26)17(24)21-13-5-1-11(10-20)2-6-13/h1-9H,(H,21,24)(H,25,26)
InChIKeyCOVKRJLNQHQQNC-UHFFFAOYSA-N
XLogP3.35
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.76
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
4-chloro-2-[(4-cyanophenyl)carbamoyl]benzoic acid
CID 122605265
3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057551
5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109196949
5-(4-cyanophenyl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid
CID 118735618
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide
CID 26289954
5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 2477549
6-N-(3-chlorophenyl)-2-N-(4-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100845
1,5-bis(4-chlorophenyl)pyrazole-3-carboxylic acid
CID 1477238
6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 109370132
4-[(4-cyanophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63650036

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylic acid (CID 10992191) is 1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylic acid is N#Cc1ccc(NC(=O)c2cc(C(=O)O)nn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylic acid?
The InChIKey is COVKRJLNQHQQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN4O3/c19-12-3-7-14(8-4-12)23-16(9-15(22-23)18(25)26)17(24)21-13-5-1-11(10-20)2-6-13/h1-9H,(H,21,24)(H,25,26).
What are the key properties of 1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylic acid?
1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylic acid has a molecular weight of 366.76 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 10992191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).