2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide

C14H15BrF2N4O2 — CID 4776377

IUPAC2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide
SMILESCc1cc(C)n(NC(=O)Cn2nc(C(F)F)c(Br)c2C)c(=O)c1
InChIInChI=1S/C14H15BrF2N4O2/c1-7-4-8(2)21(11(23)5-7)18-10(22)6-20-9(3)12(15)13(19-20)14(16)17/h4-5,14H,6H2,1-3H3,(H,18,22)
InChIKeySEACZVLDUYLJPV-UHFFFAOYSA-N
MW389.20 g/mol
LogP2.44
Rot. Bonds4

About 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide

2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide (PubChem CID 4776377) has the molecular formula C14H15BrF2N4O2 and a molecular weight of 389.20 g/mol. Its IUPAC name is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide
PubChem CID4776377
Molecular FormulaC14H15BrF2N4O2
Molecular Weight389.20 g/mol
Exact Mass388.03
IUPAC Name2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide
SMILESCc1cc(C)n(NC(=O)Cn2nc(C(F)F)c(Br)c2C)c(=O)c1
InChIInChI=1S/C14H15BrF2N4O2/c1-7-4-8(2)21(11(23)5-7)18-10(22)6-20-9(3)12(15)13(19-20)14(16)17/h4-5,14H,6H2,1-3H3,(H,18,22)
InChIKeySEACZVLDUYLJPV-UHFFFAOYSA-N
XLogP2.44
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-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-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide?
The IUPAC name of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide (CID 4776377) is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide?
The canonical SMILES for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide is Cc1cc(C)n(NC(=O)Cn2nc(C(F)F)c(Br)c2C)c(=O)c1.
What is the InChIKey of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide?
The InChIKey is SEACZVLDUYLJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF2N4O2/c1-7-4-8(2)21(11(23)5-7)18-10(22)6-20-9(3)12(15)13(19-20)14(16)17/h4-5,14H,6H2,1-3H3,(H,18,22).
What are the key properties of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide?
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide has a molecular weight of 389.20 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 4776377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).