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

C12H15F3N4O2 — CID 91776394

IUPAC(2S)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C12H15F3N4O2/c1-7-6-9(12(13,14)15)18-19(7)5-4-16-11(21)8-2-3-10(20)17-8/h6,8H,2-5H2,1H3,(H,16,21)(H,17,20)/t8-/m0/s1
InChIKeyFKYQPPRQRQMMNT-QMMMGPOBSA-N
MW304.27 g/mol
LogP0.61
Rot. Bonds4

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

(2S)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 91776394) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is (2S)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID91776394
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name(2S)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C12H15F3N4O2/c1-7-6-9(12(13,14)15)18-19(7)5-4-16-11(21)8-2-3-10(20)17-8/h6,8H,2-5H2,1H3,(H,16,21)(H,17,20)/t8-/m0/s1
InChIKeyFKYQPPRQRQMMNT-QMMMGPOBSA-N
XLogP0.61
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide
CID 35290168
1-tert-butyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70787550
2-(1-methylpyrazol-4-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 167987280
2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 70734709
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 97125496
3-(3-fluorophenyl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazolidine-4-carboxamide
CID 134067181
(3S,4R)-3-hydroxy-4-[2-(methylamino)-2-oxoethyl]-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide
CID 146113822
1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrole-2-carboxamide
CID 91774793
(1R,2S,3S,4R)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124719713
N-(2-hydroxyethyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566161
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide
CID 71807723
(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94537622

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide (CID 91776394) is (2S)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide is Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is FKYQPPRQRQMMNT-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-7-6-9(12(13,14)15)18-19(7)5-4-16-11(21)8-2-3-10(20)17-8/h6,8H,2-5H2,1H3,(H,16,21)(H,17,20)/t8-/m0/s1.
What are the key properties of (2S)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 91776394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).