4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-(2,5-dimethoxyphenyl)benzamide

C25H24N4O3 — CID 44763648

IUPAC4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-(2,5-dimethoxyphenyl)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(-n3nc(-c4cccc(C)c4)cc3N)cc2)c1
InChIInChI=1S/C25H24N4O3/c1-16-5-4-6-18(13-16)21-15-24(26)29(28-21)19-9-7-17(8-10-19)25(30)27-22-14-20(31-2)11-12-23(22)32-3/h4-15H,26H2,1-3H3,(H,27,30)
InChIKeyQUCYHNQFOZZONX-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.70
Rot. Bonds6

About 4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-(2,5-dimethoxyphenyl)benzamide

4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-(2,5-dimethoxyphenyl)benzamide (PubChem CID 44763648) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-(2,5-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-(2,5-dimethoxyphenyl)benzamide
PubChem CID44763648
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-(2,5-dimethoxyphenyl)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(-n3nc(-c4cccc(C)c4)cc3N)cc2)c1
InChIInChI=1S/C25H24N4O3/c1-16-5-4-6-18(13-16)21-15-24(26)29(28-21)19-9-7-17(8-10-19)25(30)27-22-14-20(31-2)11-12-23(22)32-3/h4-15H,26H2,1-3H3,(H,27,30)
InChIKeyQUCYHNQFOZZONX-UHFFFAOYSA-N
XLogP4.70
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 4052140
4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 44763704
N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide
CID 12018678
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide
CID 26415061
1-(3-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 114798653
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 44763242
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
N-(2,5-dimethoxyphenyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 20963718
5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 17015721
4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049315
4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 44763707

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-(2,5-dimethoxyphenyl)benzamide?
The IUPAC name of 4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-(2,5-dimethoxyphenyl)benzamide (CID 44763648) is 4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-(2,5-dimethoxyphenyl)benzamide.
What is the SMILES notation for 4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-(2,5-dimethoxyphenyl)benzamide?
The canonical SMILES for 4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-(2,5-dimethoxyphenyl)benzamide is COc1ccc(OC)c(NC(=O)c2ccc(-n3nc(-c4cccc(C)c4)cc3N)cc2)c1.
What is the InChIKey of 4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-(2,5-dimethoxyphenyl)benzamide?
The InChIKey is QUCYHNQFOZZONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-16-5-4-6-18(13-16)21-15-24(26)29(28-21)19-9-7-17(8-10-19)25(30)27-22-14-20(31-2)11-12-23(22)32-3/h4-15H,26H2,1-3H3,(H,27,30).
What are the key properties of 4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-(2,5-dimethoxyphenyl)benzamide?
4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-(2,5-dimethoxyphenyl)benzamide has a molecular weight of 428.49 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-(2,5-dimethoxyphenyl)benzamide is sourced from PubChem (CID 44763648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).