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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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).