N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C13H13F3N4O2 — CID 4862770

IUPACN-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(C)n(NC(=O)c2cc(C(F)(F)F)nn2C)c(=O)c1
InChIInChI=1S/C13H13F3N4O2/c1-7-4-8(2)20(11(21)5-7)18-12(22)9-6-10(13(14,15)16)17-19(9)3/h4-6H,1-3H3,(H,18,22)
InChIKeyIGSVBLSMWMLOOI-UHFFFAOYSA-N
MW314.27 g/mol
LogP1.60
Rot. Bonds2

About N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 4862770) has the molecular formula C13H13F3N4O2 and a molecular weight of 314.27 g/mol. Its IUPAC name is N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID4862770
Molecular FormulaC13H13F3N4O2
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC NameN-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(C)n(NC(=O)c2cc(C(F)(F)F)nn2C)c(=O)c1
InChIInChI=1S/C13H13F3N4O2/c1-7-4-8(2)20(11(21)5-7)18-12(22)9-6-10(13(14,15)16)17-19(9)3/h4-6H,1-3H3,(H,18,22)
InChIKeyIGSVBLSMWMLOOI-UHFFFAOYSA-N
XLogP1.60
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 3453921
(1,5-Dimethylpyrazol-3-yl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
CID 2738511
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 5140192
1,5-dimethyl-1H-pyrazole-3-carbohydrazide
CID 2743273
2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide
CID 162540442
1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 573245
1-Ethyl-3-methyl-1h-pyrazole-5-carbohydrazide
CID 2744172
N-cyclopentyl-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 1236040
2-methyl-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769718
1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 50896722
1-methyl-3-(trifluoromethyl)-N-[4-sulfonylphenyl]-1h-pyrazole-5-carboxamide
CID 90775307
N-[(Z)-2,2-dimethylpropylideneamino]-1,5-dimethylpyrazole-3-carboxamide
CID 5703818

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 4862770) is N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1cc(C)n(NC(=O)c2cc(C(F)(F)F)nn2C)c(=O)c1.
What is the InChIKey of N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is IGSVBLSMWMLOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2/c1-7-4-8(2)20(11(21)5-7)18-12(22)9-6-10(13(14,15)16)17-19(9)3/h4-6H,1-3H3,(H,18,22).
What are the key properties of N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 314.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4862770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).