N-(5-chloro-2,4-dimethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide

C24H20ClN3O3 — CID 26210602

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1Cl
InChIInChI=1S/C24H20ClN3O3/c1-30-21-14-22(31-2)20(13-19(21)25)26-24(29)18-15-28(17-11-7-4-8-12-17)27-23(18)16-9-5-3-6-10-16/h3-15H,1-2H3,(H,26,29)
InChIKeyVXOBTLYNPLHHIU-UHFFFAOYSA-N
MW433.90 g/mol
LogP5.46
Rot. Bonds6

About N-(5-chloro-2,4-dimethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 26210602) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID26210602
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1Cl
InChIInChI=1S/C24H20ClN3O3/c1-30-21-14-22(31-2)20(13-19(21)25)26-24(29)18-15-28(17-11-7-4-8-12-17)27-23(18)16-9-5-3-6-10-16/h3-15H,1-2H3,(H,26,29)
InChIKeyVXOBTLYNPLHHIU-UHFFFAOYSA-N
XLogP5.46
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31287113
N-(5-acetamido-2-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 42282110
N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2412473
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281305
N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide
CID 24512976
3-(3-chlorophenyl)-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 154929741
N-(2-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 23935617
N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55344475
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
N-(5-fluoro-2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7777734
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide (CID 26210602) is N-(5-chloro-2,4-dimethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide is COc1cc(OC)c(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is VXOBTLYNPLHHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-30-21-14-22(31-2)20(13-19(21)25)26-24(29)18-15-28(17-11-7-4-8-12-17)27-23(18)16-9-5-3-6-10-16/h3-15H,1-2H3,(H,26,29).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 26210602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).