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

C22H25F3N4O2 — CID 71807769

IUPACN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCCn3nc(C(F)(F)F)cc3C3CC3)CC2=O)cc1C
InChIInChI=1S/C22H25F3N4O2/c1-13-3-6-17(9-14(13)2)28-12-16(10-20(28)30)21(31)26-7-8-29-18(15-4-5-15)11-19(27-29)22(23,24)25/h3,6,9,11,15-16H,4-5,7-8,10,12H2,1-2H3,(H,26,31)
InChIKeyUPHFRYRIVKMAMP-UHFFFAOYSA-N
MW434.46 g/mol
LogP3.57
Rot. Bonds6

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

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 71807769) has the molecular formula C22H25F3N4O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID71807769
Molecular FormulaC22H25F3N4O2
Molecular Weight434.46 g/mol
Exact Mass434.19
IUPAC NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCCn3nc(C(F)(F)F)cc3C3CC3)CC2=O)cc1C
InChIInChI=1S/C22H25F3N4O2/c1-13-3-6-17(9-14(13)2)28-12-16(10-20(28)30)21(31)26-7-8-29-18(15-4-5-15)11-19(27-29)22(23,24)25/h3,6,9,11,15-16H,4-5,7-8,10,12H2,1-2H3,(H,26,31)
InChIKeyUPHFRYRIVKMAMP-UHFFFAOYSA-N
XLogP3.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 71807769) is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCCn3nc(C(F)(F)F)cc3C3CC3)CC2=O)cc1C.
What is the InChIKey of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UPHFRYRIVKMAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O2/c1-13-3-6-17(9-14(13)2)28-12-16(10-20(28)30)21(31)26-7-8-29-18(15-4-5-15)11-19(27-29)22(23,24)25/h3,6,9,11,15-16H,4-5,7-8,10,12H2,1-2H3,(H,26,31).
What are the key properties of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71807769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).