N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide

C24H20ClN3O — CID 18205042

IUPACN-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H20ClN3O/c25-20-13-11-18(12-14-20)15-16-26-24(29)22-17-28(21-9-5-2-6-10-21)27-23(22)19-7-3-1-4-8-19/h1-14,17H,15-16H2,(H,26,29)
InChIKeyVOAMWWJODQXQIW-UHFFFAOYSA-N
MW401.90 g/mol
LogP5.17
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 18205042) has the molecular formula C24H20ClN3O and a molecular weight of 401.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID18205042
Molecular FormulaC24H20ClN3O
Molecular Weight401.90 g/mol
Exact Mass401.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H20ClN3O/c25-20-13-11-18(12-14-20)15-16-26-24(29)22-17-28(21-9-5-2-6-10-21)27-23(22)19-7-3-1-4-8-19/h1-14,17H,15-16H2,(H,26,29)
InChIKeyVOAMWWJODQXQIW-UHFFFAOYSA-N
XLogP5.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.90
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 18204409
N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 42282105
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
CID 111429323
2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide
CID 167935958
1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 43016615
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 60535467
N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 60606127
3-(4-ethylphenyl)-N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 56578122
N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10092573
N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1356321

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide (CID 18205042) is N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is VOAMWWJODQXQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O/c25-20-13-11-18(12-14-20)15-16-26-24(29)22-17-28(21-9-5-2-6-10-21)27-23(22)19-7-3-1-4-8-19/h1-14,17H,15-16H2,(H,26,29).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 401.90 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 18205042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).