N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide

C16H17F3N4O2 — CID 71807737

IUPACN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)c1=O
InChIInChI=1S/C16H17F3N4O2/c1-22-7-2-3-11(15(22)25)14(24)20-6-8-23-12(10-4-5-10)9-13(21-23)16(17,18)19/h2-3,7,9-10H,4-6,8H2,1H3,(H,20,24)
InChIKeyNKEKPHUWVXUFGK-UHFFFAOYSA-N
MW354.33 g/mol
LogP1.91
Rot. Bonds5

About N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 71807737) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID71807737
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)c1=O
InChIInChI=1S/C16H17F3N4O2/c1-22-7-2-3-11(15(22)25)14(24)20-6-8-23-12(10-4-5-10)9-13(21-23)16(17,18)19/h2-3,7,9-10H,4-6,8H2,1H3,(H,20,24)
InChIKeyNKEKPHUWVXUFGK-UHFFFAOYSA-N
XLogP1.91
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 71807737) is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide is Cn1cccc(C(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)c1=O.
What is the InChIKey of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is NKEKPHUWVXUFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-22-7-2-3-11(15(22)25)14(24)20-6-8-23-12(10-4-5-10)9-13(21-23)16(17,18)19/h2-3,7,9-10H,4-6,8H2,1H3,(H,20,24).
What are the key properties of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 71807737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).