N-(4-methylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide

C16H14N4O — CID 4298772

IUPACN-(4-methylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-n3cccn3)nc2)cc1
InChIInChI=1S/C16H14N4O/c1-12-3-6-14(7-4-12)19-16(21)13-5-8-15(17-11-13)20-10-2-9-18-20/h2-11H,1H3,(H,19,21)
InChIKeyIEVSRXSQYJJTAY-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.83
Rot. Bonds3

About N-(4-methylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide

N-(4-methylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 4298772) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(4-methylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID4298772
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-(4-methylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-n3cccn3)nc2)cc1
InChIInChI=1S/C16H14N4O/c1-12-3-6-14(7-4-12)19-16(21)13-5-8-15(17-11-13)20-10-2-9-18-20/h2-11H,1H3,(H,19,21)
InChIKeyIEVSRXSQYJJTAY-UHFFFAOYSA-N
XLogP2.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide (CID 4298772) is N-(4-methylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(-n3cccn3)nc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is IEVSRXSQYJJTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-12-3-6-14(7-4-12)19-16(21)13-5-8-15(17-11-13)20-10-2-9-18-20/h2-11H,1H3,(H,19,21).
What are the key properties of N-(4-methylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide?
N-(4-methylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 4298772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).