5-benzhydryl-N-(4-chlorophenyl)pyrazole-1-carboxamide

C23H18ClN3O — CID 2806041

IUPAC5-benzhydryl-N-(4-chlorophenyl)pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)n1nccc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18ClN3O/c24-19-11-13-20(14-12-19)26-23(28)27-21(15-16-25-27)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,22H,(H,26,28)
InChIKeyRXGTUFKHMRUSFA-UHFFFAOYSA-N
MW387.87 g/mol
LogP5.80
Rot. Bonds4

About 5-benzhydryl-N-(4-chlorophenyl)pyrazole-1-carboxamide

5-benzhydryl-N-(4-chlorophenyl)pyrazole-1-carboxamide (PubChem CID 2806041) has the molecular formula C23H18ClN3O and a molecular weight of 387.87 g/mol. Its IUPAC name is 5-benzhydryl-N-(4-chlorophenyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-benzhydryl-N-(4-chlorophenyl)pyrazole-1-carboxamide
PubChem CID2806041
Molecular FormulaC23H18ClN3O
Molecular Weight387.87 g/mol
Exact Mass387.11
IUPAC Name5-benzhydryl-N-(4-chlorophenyl)pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)n1nccc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18ClN3O/c24-19-11-13-20(14-12-19)26-23(28)27-21(15-16-25-27)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,22H,(H,26,28)
InChIKeyRXGTUFKHMRUSFA-UHFFFAOYSA-N
XLogP5.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzhydryl-N-(4-chlorophenyl)pyrazole-1-carboxamide?
The IUPAC name of 5-benzhydryl-N-(4-chlorophenyl)pyrazole-1-carboxamide (CID 2806041) is 5-benzhydryl-N-(4-chlorophenyl)pyrazole-1-carboxamide.
What is the SMILES notation for 5-benzhydryl-N-(4-chlorophenyl)pyrazole-1-carboxamide?
The canonical SMILES for 5-benzhydryl-N-(4-chlorophenyl)pyrazole-1-carboxamide is O=C(Nc1ccc(Cl)cc1)n1nccc1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-benzhydryl-N-(4-chlorophenyl)pyrazole-1-carboxamide?
The InChIKey is RXGTUFKHMRUSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O/c24-19-11-13-20(14-12-19)26-23(28)27-21(15-16-25-27)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,22H,(H,26,28).
What are the key properties of 5-benzhydryl-N-(4-chlorophenyl)pyrazole-1-carboxamide?
5-benzhydryl-N-(4-chlorophenyl)pyrazole-1-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydryl-N-(4-chlorophenyl)pyrazole-1-carboxamide is sourced from PubChem (CID 2806041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).