1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide

C13H13F3N4O2 — CID 71808010

IUPAC1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCCn2ccc(C(F)(F)F)n2)c1=O
InChIInChI=1S/C13H13F3N4O2/c1-19-6-2-3-9(12(19)22)11(21)17-5-8-20-7-4-10(18-20)13(14,15)16/h2-4,6-7H,5,8H2,1H3,(H,17,21)
InChIKeyVMTSPXLSQNLTAM-UHFFFAOYSA-N
MW314.27 g/mol
LogP1.03
Rot. Bonds4

About 1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide

1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide (PubChem CID 71808010) has the molecular formula C13H13F3N4O2 and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide
PubChem CID71808010
Molecular FormulaC13H13F3N4O2
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC Name1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCCn2ccc(C(F)(F)F)n2)c1=O
InChIInChI=1S/C13H13F3N4O2/c1-19-6-2-3-9(12(19)22)11(21)17-5-8-20-7-4-10(18-20)13(14,15)16/h2-4,6-7H,5,8H2,1H3,(H,17,21)
InChIKeyVMTSPXLSQNLTAM-UHFFFAOYSA-N
XLogP1.03
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588569
2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 90588530
2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588583
2-methylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide
CID 90588593
2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide
CID 90588535
3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588556
3,4-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588560
2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 166407431
3,4-difluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588575
1-ethyl-7-methyl-4-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,8-naphthyridine-3-carboxamide
CID 90588663
5-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide
CID 71808014
4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 71808023

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide (CID 71808010) is 1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide is Cn1cccc(C(=O)NCCn2ccc(C(F)(F)F)n2)c1=O.
What is the InChIKey of 1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is VMTSPXLSQNLTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2/c1-19-6-2-3-9(12(19)22)11(21)17-5-8-20-7-4-10(18-20)13(14,15)16/h2-4,6-7H,5,8H2,1H3,(H,17,21).
What are the key properties of 1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide?
1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 314.27 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71808010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).