3-(4-chlorophenyl)-N,1-diphenylpyrazole-4-carboxamide

C22H16ClN3O — CID 2369334

IUPAC3-(4-chlorophenyl)-N,1-diphenylpyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClN3O/c23-17-13-11-16(12-14-17)21-20(22(27)24-18-7-3-1-4-8-18)15-26(25-21)19-9-5-2-6-10-19/h1-15H,(H,24,27)
InChIKeyIRCVINFJSKFBDN-UHFFFAOYSA-N
MW373.84 g/mol
LogP5.45
Rot. Bonds4

About 3-(4-chlorophenyl)-N,1-diphenylpyrazole-4-carboxamide

3-(4-chlorophenyl)-N,1-diphenylpyrazole-4-carboxamide (PubChem CID 2369334) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N,1-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N,1-diphenylpyrazole-4-carboxamide
PubChem CID2369334
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC Name3-(4-chlorophenyl)-N,1-diphenylpyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClN3O/c23-17-13-11-16(12-14-17)21-20(22(27)24-18-7-3-1-4-8-18)15-26(25-21)19-9-5-2-6-10-19/h1-15H,(H,24,27)
InChIKeyIRCVINFJSKFBDN-UHFFFAOYSA-N
XLogP5.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N,1-diphenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N,1-diphenylpyrazole-4-carboxamide (CID 2369334) is 3-(4-chlorophenyl)-N,1-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N,1-diphenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N,1-diphenylpyrazole-4-carboxamide is O=C(Nc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N,1-diphenylpyrazole-4-carboxamide?
The InChIKey is IRCVINFJSKFBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O/c23-17-13-11-16(12-14-17)21-20(22(27)24-18-7-3-1-4-8-18)15-26(25-21)19-9-5-2-6-10-19/h1-15H,(H,24,27).
What are the key properties of 3-(4-chlorophenyl)-N,1-diphenylpyrazole-4-carboxamide?
3-(4-chlorophenyl)-N,1-diphenylpyrazole-4-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N,1-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 2369334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).