N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide

C16H13ClN4O — CID 60526938

IUPACN-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C16H13ClN4O/c17-15-7-6-13(8-18-15)16(22)20-14-9-19-21(11-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,22)
InChIKeyKXHMHTBQBWMHBO-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.23
Rot. Bonds4

About N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide

N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide (PubChem CID 60526938) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide
PubChem CID60526938
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC NameN-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C16H13ClN4O/c17-15-7-6-13(8-18-15)16(22)20-14-9-19-21(11-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,22)
InChIKeyKXHMHTBQBWMHBO-UHFFFAOYSA-N
XLogP3.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 166194202
3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
CID 60552582
4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide
CID 55948742
N-(1-benzylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60552845
N-(1-benzylpyrazol-4-yl)-4-chloro-3-nitrobenzamide
CID 19397600
6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 136523476
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
4-chloro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346964
N-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 86844636
4-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346921
N-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 55946939

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide (CID 60526938) is N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc(Cl)nc1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide?
The InChIKey is KXHMHTBQBWMHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-15-7-6-13(8-18-15)16(22)20-14-9-19-21(11-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,22).
What are the key properties of N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide is sourced from PubChem (CID 60526938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).