2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide

C14H16F2N4O2 — CID 146323154

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
SMILESCCn1cc(NC(=O)Cn2nc(C(F)F)cc2C)ccc1=O
InChIInChI=1S/C14H16F2N4O2/c1-3-19-7-10(4-5-13(19)22)17-12(21)8-20-9(2)6-11(18-20)14(15)16/h4-7,14H,3,8H2,1-2H3,(H,17,21)
InChIKeyXMILBXPOLXCNDJ-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.95
Rot. Bonds5

About 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide (PubChem CID 146323154) has the molecular formula C14H16F2N4O2 and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
PubChem CID146323154
Molecular FormulaC14H16F2N4O2
Molecular Weight310.30 g/mol
Exact Mass310.12
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
SMILESCCn1cc(NC(=O)Cn2nc(C(F)F)cc2C)ccc1=O
InChIInChI=1S/C14H16F2N4O2/c1-3-19-7-10(4-5-13(19)22)17-12(21)8-20-9(2)6-11(18-20)14(15)16/h4-7,14H,3,8H2,1-2H3,(H,17,21)
InChIKeyXMILBXPOLXCNDJ-UHFFFAOYSA-N
XLogP1.95
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide (CID 146323154) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide is CCn1cc(NC(=O)Cn2nc(C(F)F)cc2C)ccc1=O.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide?
The InChIKey is XMILBXPOLXCNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2/c1-3-19-7-10(4-5-13(19)22)17-12(21)8-20-9(2)6-11(18-20)14(15)16/h4-7,14H,3,8H2,1-2H3,(H,17,21).
What are the key properties of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide?
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide has a molecular weight of 310.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide is sourced from PubChem (CID 146323154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).