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

C16H23F3N4O2 — CID 70787550

IUPAC1-tert-butyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)C1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C16H23F3N4O2/c1-10-7-12(16(17,18)19)21-23(10)6-5-20-14(25)11-8-13(24)22(9-11)15(2,3)4/h7,11H,5-6,8-9H2,1-4H3,(H,20,25)
InChIKeyGBZIOROHOHZIQV-UHFFFAOYSA-N
MW360.38 g/mol
LogP1.97
Rot. Bonds4

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

1-tert-butyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 70787550) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 1-tert-butyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID70787550
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name1-tert-butyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)C1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C16H23F3N4O2/c1-10-7-12(16(17,18)19)21-23(10)6-5-20-14(25)11-8-13(24)22(9-11)15(2,3)4/h7,11H,5-6,8-9H2,1-4H3,(H,20,25)
InChIKeyGBZIOROHOHZIQV-UHFFFAOYSA-N
XLogP1.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70732801
(2S)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 91776394
1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154887087
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide
CID 35290168
1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18885871
1-tert-butyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70716589
1-tert-butyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 128645425
2-(1-methylpyrazol-4-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 167987280
1-tert-butyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70778524
1-tert-butyl-N-[2-(4-fluorophenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide
CID 46978089
(3S)-1-tert-butyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97121539
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 72883984

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide (CID 70787550) is 1-tert-butyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(C(F)(F)F)nn1CCNC(=O)C1CC(=O)N(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GBZIOROHOHZIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c1-10-7-12(16(17,18)19)21-23(10)6-5-20-14(25)11-8-13(24)22(9-11)15(2,3)4/h7,11H,5-6,8-9H2,1-4H3,(H,20,25).
What are the key properties of 1-tert-butyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?
1-tert-butyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 360.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 70787550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).