N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide

C25H23N3O3 — CID 51548267

IUPACN-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)c(OC)c1
InChIInChI=1S/C25H23N3O3/c1-17-9-7-8-12-20(17)24-21(16-28(27-24)18-10-5-4-6-11-18)25(29)26-22-14-13-19(30-2)15-23(22)31-3/h4-16H,1-3H3,(H,26,29)
InChIKeySTHFFANWPIYZIA-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.12
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide

N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 51548267) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID51548267
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)c(OC)c1
InChIInChI=1S/C25H23N3O3/c1-17-9-7-8-12-20(17)24-21(16-28(27-24)18-10-5-4-6-11-18)25(29)26-22-14-13-19(30-2)15-23(22)31-3/h4-16H,1-3H3,(H,26,29)
InChIKeySTHFFANWPIYZIA-UHFFFAOYSA-N
XLogP5.12
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 26734824
N-(3-acetylphenyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 29206588
N-(5-acetamido-2-fluorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55551214
3-(2,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1-phenylpyrazole-4-carboxamide
CID 29201760
3-(2,5-dimethoxyphenyl)-N-[2-(2-methylphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 52706502
3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
CID 78803663
N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide
CID 24512976
3-(2-methoxyphenyl)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 8760149
3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide
CID 29202756
N-(5-chloro-2,4-dimethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 26210602
3-(2-methoxyphenyl)-N-[2-(2-methylphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 55954223
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 26881990

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 51548267) is N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is STHFFANWPIYZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-17-9-7-8-12-20(17)24-21(16-28(27-24)18-10-5-4-6-11-18)25(29)26-22-14-13-19(30-2)15-23(22)31-3/h4-16H,1-3H3,(H,26,29).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 51548267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).