N-(2,4-difluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide

C15H10F2N4O — CID 3567091

IUPACN-(2,4-difluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C15H10F2N4O/c16-11-3-4-13(12(17)8-11)20-15(22)10-2-5-14(18-9-10)21-7-1-6-19-21/h1-9H,(H,20,22)
InChIKeyDDJNOXWRCQPQKJ-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.80
Rot. Bonds3

About N-(2,4-difluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide

N-(2,4-difluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 3567091) has the molecular formula C15H10F2N4O and a molecular weight of 300.27 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID3567091
Molecular FormulaC15H10F2N4O
Molecular Weight300.27 g/mol
Exact Mass300.08
IUPAC NameN-(2,4-difluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C15H10F2N4O/c16-11-3-4-13(12(17)8-11)20-15(22)10-2-5-14(18-9-10)21-7-1-6-19-21/h1-9H,(H,20,22)
InChIKeyDDJNOXWRCQPQKJ-UHFFFAOYSA-N
XLogP2.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide (CID 3567091) is N-(2,4-difluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccc(-n2cccn2)nc1.
What is the InChIKey of N-(2,4-difluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is DDJNOXWRCQPQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4O/c16-11-3-4-13(12(17)8-11)20-15(22)10-2-5-14(18-9-10)21-7-1-6-19-21/h1-9H,(H,20,22).
What are the key properties of N-(2,4-difluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide?
N-(2,4-difluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 300.27 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 3567091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).