N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C17H16F4N6O — CID 90359822

IUPACN-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCN(C(=O)c1cn(C)nc1C(F)(F)F)c1cn(-c2cncc(F)c2)nc1C
InChIInChI=1S/C17H16F4N6O/c1-4-26(16(28)13-8-25(3)24-15(13)17(19,20)21)14-9-27(23-10(14)2)12-5-11(18)6-22-7-12/h5-9H,4H2,1-3H3
InChIKeyUTFAWSIUGLDPPU-UHFFFAOYSA-N
MW396.35 g/mol
LogP3.13
Rot. Bonds4

About N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 90359822) has the molecular formula C17H16F4N6O and a molecular weight of 396.35 g/mol. Its IUPAC name is N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID90359822
Molecular FormulaC17H16F4N6O
Molecular Weight396.35 g/mol
Exact Mass396.13
IUPAC NameN-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCN(C(=O)c1cn(C)nc1C(F)(F)F)c1cn(-c2cncc(F)c2)nc1C
InChIInChI=1S/C17H16F4N6O/c1-4-26(16(28)13-8-25(3)24-15(13)17(19,20)21)14-9-27(23-10(14)2)12-5-11(18)6-22-7-12/h5-9H,4H2,1-3H3
InChIKeyUTFAWSIUGLDPPU-UHFFFAOYSA-N
XLogP3.13
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 90359822) is N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CCN(C(=O)c1cn(C)nc1C(F)(F)F)c1cn(-c2cncc(F)c2)nc1C.
What is the InChIKey of N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is UTFAWSIUGLDPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N6O/c1-4-26(16(28)13-8-25(3)24-15(13)17(19,20)21)14-9-27(23-10(14)2)12-5-11(18)6-22-7-12/h5-9H,4H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 396.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 90359822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).