5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide

C19H20N4O — CID 110336452

IUPAC5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
SMILESCc1ccc(C)c(-c2cc(C(=O)NCc3ccncc3)nn2C)c1
InChIInChI=1S/C19H20N4O/c1-13-4-5-14(2)16(10-13)18-11-17(22-23(18)3)19(24)21-12-15-6-8-20-9-7-15/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyXJSHOFRSXGFFCX-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.03
Rot. Bonds4

About 5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide

5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide (PubChem CID 110336452) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
PubChem CID110336452
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
SMILESCc1ccc(C)c(-c2cc(C(=O)NCc3ccncc3)nn2C)c1
InChIInChI=1S/C19H20N4O/c1-13-4-5-14(2)16(10-13)18-11-17(22-23(18)3)19(24)21-12-15-6-8-20-9-7-15/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyXJSHOFRSXGFFCX-UHFFFAOYSA-N
XLogP3.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110336244
N-(3-acetamidophenyl)-5-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336464
1-ethyl-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110681696
5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372798
5-(2-methoxy-5-methylphenyl)-1-methyl-N-propylpyrazole-3-carboxamide
CID 110336742
5-(2-fluoro-5-methylphenyl)-N,1-dimethyl-N-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide
CID 110336606
5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 110336747
[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110336445
5-(2-methoxy-5-methylphenyl)-1-methyl-N-prop-2-enylpyrazole-3-carboxamide
CID 110336745
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
1-[5-(2,4-dimethylphenyl)-1-methylpyrazol-3-yl]ethanone
CID 82128339
2-(2,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259146

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide (CID 110336452) is 5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide is Cc1ccc(C)c(-c2cc(C(=O)NCc3ccncc3)nn2C)c1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is XJSHOFRSXGFFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-4-5-14(2)16(10-13)18-11-17(22-23(18)3)19(24)21-12-15-6-8-20-9-7-15/h4-11H,12H2,1-3H3,(H,21,24).
What are the key properties of 5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide?
5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110336452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).