1-acetyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide

C18H19F3N4O2 — CID 126779984

IUPAC1-acetyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1cc(C)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N4O2/c1-11-9-16(22-17(27)15-7-4-8-24(15)12(2)26)25(23-11)14-6-3-5-13(10-14)18(19,20)21/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H,22,27)
InChIKeyLRAKRYXHBDOTFW-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.15
Rot. Bonds3

About 1-acetyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide

1-acetyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide (PubChem CID 126779984) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 1-acetyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide
PubChem CID126779984
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name1-acetyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1cc(C)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N4O2/c1-11-9-16(22-17(27)15-7-4-8-24(15)12(2)26)25(23-11)14-6-3-5-13(10-14)18(19,20)21/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H,22,27)
InChIKeyLRAKRYXHBDOTFW-UHFFFAOYSA-N
XLogP3.15
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 55502873
(2S,5R)-5-(aminomethyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide;hydrochloride
CID 120785325
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
CID 55503618
5-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55572298
4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 55871877
1-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55519076
N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 78883780
(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]prop-2-enamide
CID 55537571
N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 55503557
5-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-4-nitrothiophene-2-carboxamide
CID 55580632
3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
CID 55502941
2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55520422

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide (CID 126779984) is 1-acetyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)Nc1cc(C)nn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-acetyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is LRAKRYXHBDOTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-11-9-16(22-17(27)15-7-4-8-24(15)12(2)26)25(23-11)14-6-3-5-13(10-14)18(19,20)21/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H,22,27).
What are the key properties of 1-acetyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide?
1-acetyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 126779984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).