5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide

C23H24F3N5O2S — CID 10368349

IUPAC5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCCN2CCCC2=O)cnn1-c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C23H24F3N5O2S/c1-2-19-17(21(33)27-9-5-11-30-10-4-8-20(30)32)13-28-31(19)22-29-18(14-34-22)15-6-3-7-16(12-15)23(24,25)26/h3,6-7,12-14H,2,4-5,8-11H2,1H3,(H,27,33)
InChIKeyRQDWSSYJYWZQSL-UHFFFAOYSA-N
MW491.54 g/mol
LogP4.32
Rot. Bonds8

About 5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide

5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide (PubChem CID 10368349) has the molecular formula C23H24F3N5O2S and a molecular weight of 491.54 g/mol. Its IUPAC name is 5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide
PubChem CID10368349
Molecular FormulaC23H24F3N5O2S
Molecular Weight491.54 g/mol
Exact Mass491.16
IUPAC Name5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCCN2CCCC2=O)cnn1-c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C23H24F3N5O2S/c1-2-19-17(21(33)27-9-5-11-30-10-4-8-20(30)32)13-28-31(19)22-29-18(14-34-22)15-6-3-7-16(12-15)23(24,25)26/h3,6-7,12-14H,2,4-5,8-11H2,1H3,(H,27,33)
InChIKeyRQDWSSYJYWZQSL-UHFFFAOYSA-N
XLogP4.32
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-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 5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide (CID 10368349) is 5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide is CCc1c(C(=O)NCCCN2CCCC2=O)cnn1-c1nc(-c2cccc(C(F)(F)F)c2)cs1.
What is the InChIKey of 5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The InChIKey is RQDWSSYJYWZQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2S/c1-2-19-17(21(33)27-9-5-11-30-10-4-8-20(30)32)13-28-31(19)22-29-18(14-34-22)15-6-3-7-16(12-15)23(24,25)26/h3,6-7,12-14H,2,4-5,8-11H2,1H3,(H,27,33).
What are the key properties of 5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide has a molecular weight of 491.54 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 10368349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).