2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide

C12H13ClN4O — CID 47404862

IUPAC2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
SMILESCC(C)c1cc(NC(=O)c2ccnc(Cl)c2)n[nH]1
InChIInChI=1S/C12H13ClN4O/c1-7(2)9-6-11(17-16-9)15-12(18)8-3-4-14-10(13)5-8/h3-7H,1-2H3,(H2,15,16,17,18)
InChIKeyLZLWEYAJVDGYTH-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.83
Rot. Bonds3

About 2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide

2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide (PubChem CID 47404862) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
PubChem CID47404862
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
SMILESCC(C)c1cc(NC(=O)c2ccnc(Cl)c2)n[nH]1
InChIInChI=1S/C12H13ClN4O/c1-7(2)9-6-11(17-16-9)15-12(18)8-3-4-14-10(13)5-8/h3-7H,1-2H3,(H2,15,16,17,18)
InChIKeyLZLWEYAJVDGYTH-UHFFFAOYSA-N
XLogP2.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 103633643
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404997
4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115868449
N-(5-propan-2-yl-1H-pyrazol-3-yl)naphthalene-2-carboxamide
CID 47935018
4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 5330993
3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404897
3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 112696168
2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404950
N-(5-propan-2-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indole-6-carboxamide
CID 104618381
4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115592993
5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 104616320

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide (CID 47404862) is 2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide is CC(C)c1cc(NC(=O)c2ccnc(Cl)c2)n[nH]1.
What is the InChIKey of 2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide?
The InChIKey is LZLWEYAJVDGYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-7(2)9-6-11(17-16-9)15-12(18)8-3-4-14-10(13)5-8/h3-7H,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide?
2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide has a molecular weight of 264.72 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 47404862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).