N-[(2-methoxyphenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide

C25H23N3O2 — CID 997165

IUPACN-[(2-methoxyphenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C
InChIInChI=1S/C25H23N3O2/c1-18-23(25(29)26-17-20-13-9-10-16-22(20)30-2)24(19-11-5-3-6-12-19)27-28(18)21-14-7-4-8-15-21/h3-16H,17H2,1-2H3,(H,26,29)
InChIKeyFZCDIGKVYGDGHP-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.79
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide

N-[(2-methoxyphenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 997165) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
PubChem CID997165
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C
InChIInChI=1S/C25H23N3O2/c1-18-23(25(29)26-17-20-13-9-10-16-22(20)30-2)24(19-11-5-3-6-12-19)27-28(18)21-14-7-4-8-15-21/h3-16H,17H2,1-2H3,(H,26,29)
InChIKeyFZCDIGKVYGDGHP-UHFFFAOYSA-N
XLogP4.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)formamido]propanamide
CID 23648343
Pyrazole scaffold, 1b
CID 25218466
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
N-benzyl-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2529498
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2-methoxybenzamide
CID 658803
2,5-Dihydro-2-(4-methoxyphenyl)-7-phenyl-4H-pyrazolo(3,4-d)pyridazin-4-one
CID 6409092
3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1217387
N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340223
N-(2-methoxybenzyl)-1-(3-((2-(methylamino)ethylamino)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 25216415
1-(3-((2-aminoethylamino)methyl)phenyl)-N-(2-methoxybenzyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 46879898
N-(5-fluoro-2-methoxybenzyl)-1-(3-((2-(methylamino)ethylamino)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 46880096

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide (CID 997165) is N-[(2-methoxyphenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide is COc1ccccc1CNC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is FZCDIGKVYGDGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-18-23(25(29)26-17-20-13-9-10-16-22(20)30-2)24(19-11-5-3-6-12-19)27-28(18)21-14-7-4-8-15-21/h3-16H,17H2,1-2H3,(H,26,29).
What are the key properties of N-[(2-methoxyphenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 997165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).