5-benzamido-N-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide

C23H17ClN4O2 — CID 1350656

IUPAC5-benzamido-N-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccc(Cl)cc2)cnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C23H17ClN4O2/c24-17-11-13-18(14-12-17)26-23(30)20-15-25-28(19-9-5-2-6-10-19)21(20)27-22(29)16-7-3-1-4-8-16/h1-15H,(H,26,30)(H,27,29)
InChIKeyBJVCPILJBFUGIQ-UHFFFAOYSA-N
MW416.87 g/mol
LogP5.03
Rot. Bonds5

About 5-benzamido-N-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide

5-benzamido-N-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 1350656) has the molecular formula C23H17ClN4O2 and a molecular weight of 416.87 g/mol. Its IUPAC name is 5-benzamido-N-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-benzamido-N-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID1350656
Molecular FormulaC23H17ClN4O2
Molecular Weight416.87 g/mol
Exact Mass416.10
IUPAC Name5-benzamido-N-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccc(Cl)cc2)cnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C23H17ClN4O2/c24-17-11-13-18(14-12-17)26-23(30)20-15-25-28(19-9-5-2-6-10-19)21(20)27-22(29)16-7-3-1-4-8-16/h1-15H,(H,26,30)(H,27,29)
InChIKeyBJVCPILJBFUGIQ-UHFFFAOYSA-N
XLogP5.03
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.87
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzamido-N-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-benzamido-N-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide (CID 1350656) is 5-benzamido-N-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-benzamido-N-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-benzamido-N-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide is O=C(Nc1c(C(=O)Nc2ccc(Cl)cc2)cnn1-c1ccccc1)c1ccccc1.
What is the InChIKey of 5-benzamido-N-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is BJVCPILJBFUGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O2/c24-17-11-13-18(14-12-17)26-23(30)20-15-25-28(19-9-5-2-6-10-19)21(20)27-22(29)16-7-3-1-4-8-16/h1-15H,(H,26,30)(H,27,29).
What are the key properties of 5-benzamido-N-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide?
5-benzamido-N-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 416.87 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-N-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1350656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).