5-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide

C17H16N4O — CID 71824606

IUPAC5-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCc1ccc(-c2[nH]ncc2C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C17H16N4O/c1-12-5-7-13(8-6-12)16-15(11-20-21-16)17(22)19-10-14-4-2-3-9-18-14/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyGGAYMIOJCIUFHR-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.71
Rot. Bonds4

About 5-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide

5-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 71824606) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID71824606
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name5-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCc1ccc(-c2[nH]ncc2C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C17H16N4O/c1-12-5-7-13(8-6-12)16-15(11-20-21-16)17(22)19-10-14-4-2-3-9-18-14/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyGGAYMIOJCIUFHR-UHFFFAOYSA-N
XLogP2.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
5-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824609
5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide
CID 72935188
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824635
2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 2973231
N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824643
2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1220288
5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824428
N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide
CID 53490368
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
6-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 171132589
2-(ethylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167465

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide (CID 71824606) is 5-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide is Cc1ccc(-c2[nH]ncc2C(=O)NCc2ccccn2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is GGAYMIOJCIUFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-5-7-13(8-6-12)16-15(11-20-21-16)17(22)19-10-14-4-2-3-9-18-14/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 5-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide?
5-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).