1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide

C20H21N3O2 — CID 110373177

IUPAC1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide
SMILESCOc1cccc(-n2nc(C(=O)NCc3cccc(C)c3)cc2C)c1
InChIInChI=1S/C20H21N3O2/c1-14-6-4-7-16(10-14)13-21-20(24)19-11-15(2)23(22-19)17-8-5-9-18(12-17)25-3/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyWOJAEPDCDJVEIX-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.43
Rot. Bonds5

About 1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide

1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 110373177) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide
PubChem CID110373177
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide
SMILESCOc1cccc(-n2nc(C(=O)NCc3cccc(C)c3)cc2C)c1
InChIInChI=1S/C20H21N3O2/c1-14-6-4-7-16(10-14)13-21-20(24)19-11-15(2)23(22-19)17-8-5-9-18(12-17)25-3/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyWOJAEPDCDJVEIX-UHFFFAOYSA-N
XLogP3.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-5-methyl-N-propylpyrazole-3-carboxamide
CID 110373151
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
1-(3-methoxyphenyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide
CID 110373154
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 110372802
1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110373019
N-(2-ethoxyphenyl)-1-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373235
5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280308
1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
CID 53365318
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110372894
N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51153757
2-hydroxy-5-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 60728918
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372766

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide (CID 110373177) is 1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide is COc1cccc(-n2nc(C(=O)NCc3cccc(C)c3)cc2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is WOJAEPDCDJVEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-6-4-7-16(10-14)13-21-20(24)19-11-15(2)23(22-19)17-8-5-9-18(12-17)25-3/h4-12H,13H2,1-3H3,(H,21,24).
What are the key properties of 1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide?
1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 110373177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).