N-methyl-N-pyridin-3-yl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C13H10F6N4O — CID 59606992

IUPACN-methyl-N-pyridin-3-yl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(CC(F)(F)F)c1C(F)(F)F)c1cccnc1
InChIInChI=1S/C13H10F6N4O/c1-22(8-3-2-4-20-5-8)11(24)9-6-21-23(7-12(14,15)16)10(9)13(17,18)19/h2-6H,7H2,1H3
InChIKeyQYLSSFGUPJRKAU-UHFFFAOYSA-N
MW352.24 g/mol
LogP3.14
Rot. Bonds3

About N-methyl-N-pyridin-3-yl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-methyl-N-pyridin-3-yl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 59606992) has the molecular formula C13H10F6N4O and a molecular weight of 352.24 g/mol. Its IUPAC name is N-methyl-N-pyridin-3-yl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-pyridin-3-yl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID59606992
Molecular FormulaC13H10F6N4O
Molecular Weight352.24 g/mol
Exact Mass352.08
IUPAC NameN-methyl-N-pyridin-3-yl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(CC(F)(F)F)c1C(F)(F)F)c1cccnc1
InChIInChI=1S/C13H10F6N4O/c1-22(8-3-2-4-20-5-8)11(24)9-6-21-23(7-12(14,15)16)10(9)13(17,18)19/h2-6H,7H2,1H3
InChIKeyQYLSSFGUPJRKAU-UHFFFAOYSA-N
XLogP3.14
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)-
CID 645025
Cholesterol 24-hydroxylase-IN-1
CID 118450616
Pyrazole, 3,5-dimethyl-1-nicotinoyl-
CID 205203
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 831914
N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyridine-3-carbohydrazide
CID 24816597
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 10222604
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389637
N-ethyl-5-fluoro-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389884
N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]piperidine-4-carboxamide
CID 118450657
(6S)-5-N-(2,6-difluoro-4-pyridinyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 137452631
1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
CID 649594
4-[1-phenyl-4-(1-piperidinylcarbonyl)-1H-pyrazol-3-yl]pyridine
CID 976901

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyridin-3-yl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-methyl-N-pyridin-3-yl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 59606992) is N-methyl-N-pyridin-3-yl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-pyridin-3-yl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-N-pyridin-3-yl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is CN(C(=O)c1cnn(CC(F)(F)F)c1C(F)(F)F)c1cccnc1.
What is the InChIKey of N-methyl-N-pyridin-3-yl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is QYLSSFGUPJRKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F6N4O/c1-22(8-3-2-4-20-5-8)11(24)9-6-21-23(7-12(14,15)16)10(9)13(17,18)19/h2-6H,7H2,1H3.
What are the key properties of N-methyl-N-pyridin-3-yl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-methyl-N-pyridin-3-yl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 352.24 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyridin-3-yl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 59606992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).