1-(2,3-dimethylphenyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C19H21F3N4O2 — CID 136516913

IUPAC1-(2,3-dimethylphenyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)NCc3cn(C)nc3C(F)(F)F)CC2=O)c1C
InChIInChI=1S/C19H21F3N4O2/c1-11-5-4-6-15(12(11)2)26-10-13(7-16(26)27)18(28)23-8-14-9-25(3)24-17(14)19(20,21)22/h4-6,9,13H,7-8,10H2,1-3H3,(H,23,28)
InChIKeyNKHGYENPMASTKD-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.73
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide

1-(2,3-dimethylphenyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 136516913) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID136516913
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name1-(2,3-dimethylphenyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)NCc3cn(C)nc3C(F)(F)F)CC2=O)c1C
InChIInChI=1S/C19H21F3N4O2/c1-11-5-4-6-15(12(11)2)26-10-13(7-16(26)27)18(28)23-8-14-9-25(3)24-17(14)19(20,21)22/h4-6,9,13H,7-8,10H2,1-3H3,(H,23,28)
InChIKeyNKHGYENPMASTKD-UHFFFAOYSA-N
XLogP2.73
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119137112
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
N-(3-aminobutyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119498292
(3R)-1-(2,3-dimethylphenyl)-5-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 129366317
1-(2,3-dimethylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 18225532
7-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]heptanoic acid
CID 119227650
1-(2,3-dimethylphenyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 46585095
1-(2,3-dimethylphenyl)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55900417
2-[2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid
CID 119218549
1-(3-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187486
1-(2,3-dimethylphenyl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55642807
(3R)-1-(2,3-dimethylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 34746625

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 136516913) is 1-(2,3-dimethylphenyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide is Cc1cccc(N2CC(C(=O)NCc3cn(C)nc3C(F)(F)F)CC2=O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NKHGYENPMASTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-11-5-4-6-15(12(11)2)26-10-13(7-16(26)27)18(28)23-8-14-9-25(3)24-17(14)19(20,21)22/h4-6,9,13H,7-8,10H2,1-3H3,(H,23,28).
What are the key properties of 1-(2,3-dimethylphenyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dimethylphenyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 136516913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).