2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylpropanamide

C14H15F3N4O — CID 4867280

IUPAC2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylpropanamide
SMILESCc1cc(C(F)(F)F)nn1CC(C)C(=O)Nc1cccnc1
InChIInChI=1S/C14H15F3N4O/c1-9(13(22)19-11-4-3-5-18-7-11)8-21-10(2)6-12(20-21)14(15,16)17/h3-7,9H,8H2,1-2H3,(H,19,22)
InChIKeyGKKQMBXQECFKEQ-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.88
Rot. Bonds4

About 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylpropanamide

2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylpropanamide (PubChem CID 4867280) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylpropanamide
PubChem CID4867280
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylpropanamide
SMILESCc1cc(C(F)(F)F)nn1CC(C)C(=O)Nc1cccnc1
InChIInChI=1S/C14H15F3N4O/c1-9(13(22)19-11-4-3-5-18-7-11)8-21-10(2)6-12(20-21)14(15,16)17/h3-7,9H,8H2,1-2H3,(H,19,22)
InChIKeyGKKQMBXQECFKEQ-UHFFFAOYSA-N
XLogP2.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Acetamide, N-(1-phenylpyrazol-4-yl)-
CID 200720
2-(5-methyl-1H-pyrazol-1-yl)-N'-[(E)-(6-methylpyridin-2-yl)methylidene]acetohydrazide
CID 6879191
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-pyridin-2-ylmethylidene]acetohydrazide
CID 6889248
N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]piperidine-4-carboxamide
CID 118450657
N,N-dimethyl-1-(4-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 118450716
(2S)-N-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 132227715
(2S)-3-(4-cyanopyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-2-hydroxy-2-methylpropanamide
CID 148213708
Pyridine, 4-(4-aminopyrazol-1-yl)-
CID 206684
1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
CID 649594
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-3-pyridinylacetamide
CID 1257381
N-(4-pyrazol-1-ylphenyl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 24791954
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-pyridin-4-ylacetamide
CID 831686

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylpropanamide?
The IUPAC name of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylpropanamide (CID 4867280) is 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylpropanamide?
The canonical SMILES for 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylpropanamide is Cc1cc(C(F)(F)F)nn1CC(C)C(=O)Nc1cccnc1.
What is the InChIKey of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylpropanamide?
The InChIKey is GKKQMBXQECFKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-9(13(22)19-11-4-3-5-18-7-11)8-21-10(2)6-12(20-21)14(15,16)17/h3-7,9H,8H2,1-2H3,(H,19,22).
What are the key properties of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylpropanamide?
2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylpropanamide has a molecular weight of 312.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 4867280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).