N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide

C25H22ClN3O3 — CID 4310437

IUPACN-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccccc3)n(-c3ccc(Cl)cc3)n2)c(OC)c1
InChIInChI=1S/C25H22ClN3O3/c1-31-20-12-13-21(24(14-20)32-2)22-15-23(25(30)27-16-17-6-4-3-5-7-17)29(28-22)19-10-8-18(26)9-11-19/h3-15H,16H2,1-2H3,(H,27,30)
InChIKeyPGJZISCIAUSQKR-UHFFFAOYSA-N
MW447.92 g/mol
LogP5.14
Rot. Bonds7

About N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide

N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide (PubChem CID 4310437) has the molecular formula C25H22ClN3O3 and a molecular weight of 447.92 g/mol. Its IUPAC name is N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide
PubChem CID4310437
Molecular FormulaC25H22ClN3O3
Molecular Weight447.92 g/mol
Exact Mass447.13
IUPAC NameN-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccccc3)n(-c3ccc(Cl)cc3)n2)c(OC)c1
InChIInChI=1S/C25H22ClN3O3/c1-31-20-12-13-21(24(14-20)32-2)22-15-23(25(30)27-16-17-6-4-3-5-7-17)29(28-22)19-10-8-18(26)9-11-19/h3-15H,16H2,1-2H3,(H,27,30)
InChIKeyPGJZISCIAUSQKR-UHFFFAOYSA-N
XLogP5.14
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.92
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 5028936
N-benzyl-3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3332427
3-(2,4-dimethoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 3594843
N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42662519
1-(4-chlorophenyl)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide
CID 3968886
3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-5-carboxamide
CID 3582112
3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenylpyrazole-5-carboxamide
CID 3541559
3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 42759391
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 4262770
3-(2,4-dimethoxyphenyl)-N-(1,2-diphenylethyl)-1-phenylpyrazole-5-carboxamide
CID 4693927
N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053385
3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 4567255

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide (CID 4310437) is N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCc3ccccc3)n(-c3ccc(Cl)cc3)n2)c(OC)c1.
What is the InChIKey of N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide?
The InChIKey is PGJZISCIAUSQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3/c1-31-20-12-13-21(24(14-20)32-2)22-15-23(25(30)27-16-17-6-4-3-5-7-17)29(28-22)19-10-8-18(26)9-11-19/h3-15H,16H2,1-2H3,(H,27,30).
What are the key properties of N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide?
N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide has a molecular weight of 447.92 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4310437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).