N,3-dimethyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C13H13F3N4O — CID 58270481

IUPACN,3-dimethyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2cccnc2)cc1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C13H13F3N4O/c1-9-11(12(21)19(2)8-13(14,15)16)7-20(18-9)10-4-3-5-17-6-10/h3-7H,8H2,1-2H3
InChIKeyUQLIZLRBZTUMMC-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.21
Rot. Bonds3

About N,3-dimethyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

N,3-dimethyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 58270481) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is N,3-dimethyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID58270481
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC NameN,3-dimethyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2cccnc2)cc1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C13H13F3N4O/c1-9-11(12(21)19(2)8-13(14,15)16)7-20(18-9)10-4-3-5-17-6-10/h3-7H,8H2,1-2H3
InChIKeyUQLIZLRBZTUMMC-UHFFFAOYSA-N
XLogP2.21
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.21
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
1-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-3-carbohydrazide
CID 5412145
Pyrazole, 3,5-dimethyl-1-nicotinoyl-
CID 205203
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 831914
1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 5424915
1-methyl-N'-[(E)-pyridin-3-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6884360
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

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of N,3-dimethyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 58270481) is N,3-dimethyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for N,3-dimethyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is Cc1nn(-c2cccnc2)cc1C(=O)N(C)CC(F)(F)F.
What is the InChIKey of N,3-dimethyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is UQLIZLRBZTUMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-9-11(12(21)19(2)8-13(14,15)16)7-20(18-9)10-4-3-5-17-6-10/h3-7H,8H2,1-2H3.
What are the key properties of N,3-dimethyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
N,3-dimethyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 298.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 58270481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).