N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide

C15H10F2N4O2 — CID 166182620

IUPACN-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1cccc(=O)[nH]1
InChIInChI=1S/C15H10F2N4O2/c16-9-4-8(5-10(17)6-9)12-7-13(21-20-12)19-15(23)11-2-1-3-14(22)18-11/h1-7H,(H,18,22)(H2,19,20,21,23)
InChIKeyFSOTWGKVEKVFKZ-UHFFFAOYSA-N
MW316.27 g/mol
LogP2.30
Rot. Bonds3

About N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide

N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 166182620) has the molecular formula C15H10F2N4O2 and a molecular weight of 316.27 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID166182620
Molecular FormulaC15H10F2N4O2
Molecular Weight316.27 g/mol
Exact Mass316.08
IUPAC NameN-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1cccc(=O)[nH]1
InChIInChI=1S/C15H10F2N4O2/c16-9-4-8(5-10(17)6-9)12-7-13(21-20-12)19-15(23)11-2-1-3-14(22)18-11/h1-7H,(H,18,22)(H2,19,20,21,23)
InChIKeyFSOTWGKVEKVFKZ-UHFFFAOYSA-N
XLogP2.30
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide (CID 166182620) is N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide is O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1cccc(=O)[nH]1.
What is the InChIKey of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is FSOTWGKVEKVFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4O2/c16-9-4-8(5-10(17)6-9)12-7-13(21-20-12)19-15(23)11-2-1-3-14(22)18-11/h1-7H,(H,18,22)(H2,19,20,21,23).
What are the key properties of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide?
N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 316.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 166182620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).