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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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).