N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide

C21H23N3O3 — CID 110372802

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C)n(-c3ccc(C)cc3)n2)cc1OC
InChIInChI=1S/C21H23N3O3/c1-14-5-8-17(9-6-14)24-15(2)11-18(23-24)21(25)22-13-16-7-10-19(26-3)20(12-16)27-4/h5-12H,13H2,1-4H3,(H,22,25)
InChIKeySAMKGDNQOYZQSW-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.44
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide (PubChem CID 110372802) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
PubChem CID110372802
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C)n(-c3ccc(C)cc3)n2)cc1OC
InChIInChI=1S/C21H23N3O3/c1-14-5-8-17(9-6-14)24-15(2)11-18(23-24)21(25)22-13-16-7-10-19(26-3)20(12-16)27-4/h5-12H,13H2,1-4H3,(H,22,25)
InChIKeySAMKGDNQOYZQSW-UHFFFAOYSA-N
XLogP3.44
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110372894
N-[(3,4-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110412991
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372761
5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372798
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide
CID 110373177
N-[(3,4-dimethoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 42536396
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 9404180
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide
CID 53332630
6-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347409
2-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304602

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide (CID 110372802) is N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide is COc1ccc(CNC(=O)c2cc(C)n(-c3ccc(C)cc3)n2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is SAMKGDNQOYZQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-5-8-17(9-6-14)24-15(2)11-18(23-24)21(25)22-13-16-7-10-19(26-3)20(12-16)27-4/h5-12H,13H2,1-4H3,(H,22,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110372802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).