5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide

C18H18N4O — CID 110372798

IUPAC5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NCc3ccncc3)cc2C)cc1
InChIInChI=1S/C18H18N4O/c1-13-3-5-16(6-4-13)22-14(2)11-17(21-22)18(23)20-12-15-7-9-19-10-8-15/h3-11H,12H2,1-2H3,(H,20,23)
InChIKeyGXNJPKUUYIVLDX-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.81
Rot. Bonds4

About 5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide

5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide (PubChem CID 110372798) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
PubChem CID110372798
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NCc3ccncc3)cc2C)cc1
InChIInChI=1S/C18H18N4O/c1-13-3-5-16(6-4-13)22-14(2)11-17(21-22)18(23)20-12-15-7-9-19-10-8-15/h3-11H,12H2,1-2H3,(H,20,23)
InChIKeyGXNJPKUUYIVLDX-UHFFFAOYSA-N
XLogP2.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372883
1-(4-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372973
1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110373019
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 110372802
1-ethyl-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110681696
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 9112873
N-[2-(furan-2-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 86788589
5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 60511850
6-ethoxy-1-(4-methylphenyl)-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 53157517
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110336452

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide (CID 110372798) is 5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)NCc3ccncc3)cc2C)cc1.
What is the InChIKey of 5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is GXNJPKUUYIVLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-3-5-16(6-4-13)22-14(2)11-17(21-22)18(23)20-12-15-7-9-19-10-8-15/h3-11H,12H2,1-2H3,(H,20,23).
What are the key properties of 5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110372798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).