N-(5-butyl-1H-pyrazol-3-yl)-2-chloro-3-fluoropyridine-4-carboxamide

C13H14ClFN4O — CID 75394847

IUPACN-(5-butyl-1H-pyrazol-3-yl)-2-chloro-3-fluoropyridine-4-carboxamide
SMILESCCCCc1cc(NC(=O)c2ccnc(Cl)c2F)n[nH]1
InChIInChI=1S/C13H14ClFN4O/c1-2-3-4-8-7-10(19-18-8)17-13(20)9-5-6-16-12(14)11(9)15/h5-7H,2-4H2,1H3,(H2,17,18,19,20)
InChIKeyQCJGVLYAPHSZRC-UHFFFAOYSA-N
MW296.73 g/mol
LogP3.19
Rot. Bonds5

About N-(5-butyl-1H-pyrazol-3-yl)-2-chloro-3-fluoropyridine-4-carboxamide

N-(5-butyl-1H-pyrazol-3-yl)-2-chloro-3-fluoropyridine-4-carboxamide (PubChem CID 75394847) has the molecular formula C13H14ClFN4O and a molecular weight of 296.73 g/mol. Its IUPAC name is N-(5-butyl-1H-pyrazol-3-yl)-2-chloro-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1H-pyrazol-3-yl)-2-chloro-3-fluoropyridine-4-carboxamide
PubChem CID75394847
Molecular FormulaC13H14ClFN4O
Molecular Weight296.73 g/mol
Exact Mass296.08
IUPAC NameN-(5-butyl-1H-pyrazol-3-yl)-2-chloro-3-fluoropyridine-4-carboxamide
SMILESCCCCc1cc(NC(=O)c2ccnc(Cl)c2F)n[nH]1
InChIInChI=1S/C13H14ClFN4O/c1-2-3-4-8-7-10(19-18-8)17-13(20)9-5-6-16-12(14)11(9)15/h5-7H,2-4H2,1H3,(H2,17,18,19,20)
InChIKeyQCJGVLYAPHSZRC-UHFFFAOYSA-N
XLogP3.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 53.19
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

N-(5-butyl-1H-pyrazol-3-yl)-6-chloro-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
CID 167875941
4-chloro-6-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 103803878
4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112702658
5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112690348
2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233987
2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233988
2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 106512250
5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 107185838
N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
CID 47423207
4-hydroxy-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 103865483
3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 105387666
2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide
CID 113233981

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1H-pyrazol-3-yl)-2-chloro-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(5-butyl-1H-pyrazol-3-yl)-2-chloro-3-fluoropyridine-4-carboxamide (CID 75394847) is N-(5-butyl-1H-pyrazol-3-yl)-2-chloro-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(5-butyl-1H-pyrazol-3-yl)-2-chloro-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(5-butyl-1H-pyrazol-3-yl)-2-chloro-3-fluoropyridine-4-carboxamide is CCCCc1cc(NC(=O)c2ccnc(Cl)c2F)n[nH]1.
What is the InChIKey of N-(5-butyl-1H-pyrazol-3-yl)-2-chloro-3-fluoropyridine-4-carboxamide?
The InChIKey is QCJGVLYAPHSZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O/c1-2-3-4-8-7-10(19-18-8)17-13(20)9-5-6-16-12(14)11(9)15/h5-7H,2-4H2,1H3,(H2,17,18,19,20).
What are the key properties of N-(5-butyl-1H-pyrazol-3-yl)-2-chloro-3-fluoropyridine-4-carboxamide?
N-(5-butyl-1H-pyrazol-3-yl)-2-chloro-3-fluoropyridine-4-carboxamide has a molecular weight of 296.73 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1H-pyrazol-3-yl)-2-chloro-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 75394847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).