3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C23H18ClN3O2 — CID 1217387

IUPAC3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H18ClN3O2/c1-29-20-13-11-18(12-14-20)25-23(28)21-15-27(19-5-3-2-4-6-19)26-22(21)16-7-9-17(24)10-8-16/h2-15H,1H3,(H,25,28)
InChIKeyPESBDYLETBKMKX-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.45
Rot. Bonds5

About 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 1217387) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID1217387
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H18ClN3O2/c1-29-20-13-11-18(12-14-20)25-23(28)21-15-27(19-5-3-2-4-6-19)26-22(21)16-7-9-17(24)10-8-16/h2-15H,1H3,(H,25,28)
InChIKeyPESBDYLETBKMKX-UHFFFAOYSA-N
XLogP5.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 1217387) is 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is PESBDYLETBKMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-29-20-13-11-18(12-14-20)25-23(28)21-15-27(19-5-3-2-4-6-19)26-22(21)16-7-9-17(24)10-8-16/h2-15H,1H3,(H,25,28).
What are the key properties of 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 403.87 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1217387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).