3-(difluoromethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide

C13H14F2N4O2 — CID 146323223

IUPAC3-(difluoromethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide
SMILESCCn1cc(NC(=O)c2cn(C)nc2C(F)F)ccc1=O
InChIInChI=1S/C13H14F2N4O2/c1-3-19-6-8(4-5-10(19)20)16-13(21)9-7-18(2)17-11(9)12(14)15/h4-7,12H,3H2,1-2H3,(H,16,21)
InChIKeyORRBRBNZHPCVDP-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.79
Rot. Bonds4

About 3-(difluoromethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide

3-(difluoromethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide (PubChem CID 146323223) has the molecular formula C13H14F2N4O2 and a molecular weight of 296.28 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide
PubChem CID146323223
Molecular FormulaC13H14F2N4O2
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC Name3-(difluoromethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide
SMILESCCn1cc(NC(=O)c2cn(C)nc2C(F)F)ccc1=O
InChIInChI=1S/C13H14F2N4O2/c1-3-19-6-8(4-5-10(19)20)16-13(21)9-7-18(2)17-11(9)12(14)15/h4-7,12H,3H2,1-2H3,(H,16,21)
InChIKeyORRBRBNZHPCVDP-UHFFFAOYSA-N
XLogP1.79
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide (CID 146323223) is 3-(difluoromethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide is CCn1cc(NC(=O)c2cn(C)nc2C(F)F)ccc1=O.
What is the InChIKey of 3-(difluoromethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is ORRBRBNZHPCVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O2/c1-3-19-6-8(4-5-10(19)20)16-13(21)9-7-18(2)17-11(9)12(14)15/h4-7,12H,3H2,1-2H3,(H,16,21).
What are the key properties of 3-(difluoromethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide?
3-(difluoromethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 146323223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).