N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide

C18H19F3N4O2 — CID 139002833

IUPACN-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCC(C)N1CC(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)CC1=O
InChIInChI=1S/C18H19F3N4O2/c1-11(2)24-10-13(9-16(24)26)23-17(27)12-4-3-5-14(8-12)25-15(6-7-22-25)18(19,20)21/h3-8,11,13H,9-10H2,1-2H3,(H,23,27)
InChIKeyXYKAYELXDXBLPX-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.63
Rot. Bonds4

About N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide

N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 139002833) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID139002833
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC NameN-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCC(C)N1CC(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)CC1=O
InChIInChI=1S/C18H19F3N4O2/c1-11(2)24-10-13(9-16(24)26)23-17(27)12-4-3-5-14(8-12)25-15(6-7-22-25)18(19,20)21/h3-8,11,13H,9-10H2,1-2H3,(H,23,27)
InChIKeyXYKAYELXDXBLPX-UHFFFAOYSA-N
XLogP2.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139000751
N-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119429223
N-[1-(2-methoxyethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 136580010
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide
CID 110736702
N-[(2S)-1-aminopropan-2-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 120505817
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119609023
N-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119504361
N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139000544
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119575990
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
CID 124592426
N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119630682
N-(2-amino-2-ethylbutyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119643925

Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 139002833) is N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide is CC(C)N1CC(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)CC1=O.
What is the InChIKey of N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is XYKAYELXDXBLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-11(2)24-10-13(9-16(24)26)23-17(27)12-4-3-5-14(8-12)25-15(6-7-22-25)18(19,20)21/h3-8,11,13H,9-10H2,1-2H3,(H,23,27).
What are the key properties of N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 380.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 139002833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).