6-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-2-carboxamide

C12H13FN4O — CID 113342682

IUPAC6-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-2-carboxamide
SMILESCC(C)c1cc(NC(=O)c2cccc(F)n2)n[nH]1
InChIInChI=1S/C12H13FN4O/c1-7(2)9-6-11(17-16-9)15-12(18)8-4-3-5-10(13)14-8/h3-7H,1-2H3,(H2,15,16,17,18)
InChIKeyBUUKZFRZUQAMFZ-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.32
Rot. Bonds3

About 6-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-2-carboxamide

6-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-2-carboxamide (PubChem CID 113342682) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 6-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-2-carboxamide
PubChem CID113342682
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name6-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-2-carboxamide
SMILESCC(C)c1cc(NC(=O)c2cccc(F)n2)n[nH]1
InChIInChI=1S/C12H13FN4O/c1-7(2)9-6-11(17-16-9)15-12(18)8-4-3-5-10(13)14-8/h3-7H,1-2H3,(H2,15,16,17,18)
InChIKeyBUUKZFRZUQAMFZ-UHFFFAOYSA-N
XLogP2.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.32
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

3-[(6-fluoropyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 115496461
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
N-(5-propan-2-yl-1H-pyrazol-3-yl)naphthalene-2-carboxamide
CID 47935018
2-N,6-N-bis(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-dicarboxamide
CID 12073846
3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404897
2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115875333
4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404997
2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404950
4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404888
2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 113339737
2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 104616261

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-2-carboxamide (CID 113342682) is 6-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-2-carboxamide is CC(C)c1cc(NC(=O)c2cccc(F)n2)n[nH]1.
What is the InChIKey of 6-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-2-carboxamide?
The InChIKey is BUUKZFRZUQAMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-7(2)9-6-11(17-16-9)15-12(18)8-4-3-5-10(13)14-8/h3-7H,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-2-carboxamide?
6-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-2-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 113342682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).