N-ethyl-1-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide

C17H17F3N6O — CID 69260152

IUPACN-ethyl-1-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCN(C(=O)c1cn(C)nc1C(F)(F)F)c1cn(-c2cccnc2)nc1C
InChIInChI=1S/C17H17F3N6O/c1-4-25(16(27)13-9-24(3)23-15(13)17(18,19)20)14-10-26(22-11(14)2)12-6-5-7-21-8-12/h5-10H,4H2,1-3H3
InChIKeyCMILROQBRPLIFN-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.99
Rot. Bonds4

About N-ethyl-1-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide

N-ethyl-1-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 69260152) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID69260152
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC NameN-ethyl-1-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCN(C(=O)c1cn(C)nc1C(F)(F)F)c1cn(-c2cccnc2)nc1C
InChIInChI=1S/C17H17F3N6O/c1-4-25(16(27)13-9-24(3)23-15(13)17(18,19)20)14-10-26(22-11(14)2)12-6-5-7-21-8-12/h5-10H,4H2,1-3H3
InChIKeyCMILROQBRPLIFN-UHFFFAOYSA-N
XLogP2.99
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
N-ethyl-5-methyl-N-[2-[3-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389484
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
CID 57389725
N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 72700543
N-{2-[4-(5-fluoropyridin-2-yl)-1H-pyrazol-1-yl]ethyl}-N,5-dimethyl-2-(2H-1,2,3-triazol-2-yl)benzamide
CID 57388812
N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[4-(trifluoromethyl)pyridin-2-yl]pyrazol-1-yl]ethyl]benzamide
CID 57389232
N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[6-(trifluoromethyl)pyridin-2-yl]pyrazol-1-yl]ethyl]benzamide
CID 57389400
N-ethyl-5-methyl-2-(triazol-2-yl)-N-[2-[3-[5-(trifluoromethyl)pyridin-2-yl]pyrazol-1-yl]ethyl]benzamide
CID 57389401
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389637
N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
CID 57389801
N-ethyl-5-fluoro-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389884
N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-N-propan-2-yl-2-(triazol-2-yl)benzamide
CID 57389968

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-ethyl-1-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 69260152) is N-ethyl-1-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide is CCN(C(=O)c1cn(C)nc1C(F)(F)F)c1cn(-c2cccnc2)nc1C.
What is the InChIKey of N-ethyl-1-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is CMILROQBRPLIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O/c1-4-25(16(27)13-9-24(3)23-15(13)17(18,19)20)14-10-26(22-11(14)2)12-6-5-7-21-8-12/h5-10H,4H2,1-3H3.
What are the key properties of N-ethyl-1-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-ethyl-1-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 378.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 69260152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).