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

C22H21F3N6OS — CID 10073602

IUPAC5-ethyl-N-(3-imidazol-1-ylpropyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCCn2ccnc2)cnn1-c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C22H21F3N6OS/c1-2-19-17(20(32)27-7-4-9-30-10-8-26-14-30)12-28-31(19)21-29-18(13-33-21)15-5-3-6-16(11-15)22(23,24)25/h3,5-6,8,10-14H,2,4,7,9H2,1H3,(H,27,32)
InChIKeyOKXGEMMGHMUBFJ-UHFFFAOYSA-N
MW474.51 g/mol
LogP4.59
Rot. Bonds8

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

5-ethyl-N-(3-imidazol-1-ylpropyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide (PubChem CID 10073602) has the molecular formula C22H21F3N6OS and a molecular weight of 474.51 g/mol. Its IUPAC name is 5-ethyl-N-(3-imidazol-1-ylpropyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(3-imidazol-1-ylpropyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide
PubChem CID10073602
Molecular FormulaC22H21F3N6OS
Molecular Weight474.51 g/mol
Exact Mass474.14
IUPAC Name5-ethyl-N-(3-imidazol-1-ylpropyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCCn2ccnc2)cnn1-c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C22H21F3N6OS/c1-2-19-17(20(32)27-7-4-9-30-10-8-26-14-30)12-28-31(19)21-29-18(13-33-21)15-5-3-6-16(11-15)22(23,24)25/h3,5-6,8,10-14H,2,4,7,9H2,1H3,(H,27,32)
InChIKeyOKXGEMMGHMUBFJ-UHFFFAOYSA-N
XLogP4.59
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-ethyl-N-(3-imidazol-1-ylpropyl)-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

Related Compounds

2-tert-butyl-N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 91809176
4-N-[(4-cyano-1,3-thiazol-2-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469617
1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469815
5-butyl-N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 72165163
5-butyl-N-[(3,5-dimethylimidazol-4-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 72165165
[6-[[4-(1,3-Dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 137647785
N-(3-Hydroxypropyl)-5-methyl-1-(4-(3-(trifluoromethyl)phenyl)thiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 9953357
5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-thiazol-2-yl]-1H-pyrazole-4-carboxylic acid (3-diethylamino-propyl)-amide
CID 10369377
2-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-((1-methyl-1H-imidazol-4-yl)methyl)thiazole-5-carboxamide
CID 59481293
5-butyl-N-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 60207828
5-butyl-N-[(2,3-dimethylimidazol-4-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 60207843
N-[(1S)-7-(methylamino)-7-oxo-1-[5-[4-(1H-pyrazol-5-yl)phenyl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide
CID 74221664

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-imidazol-1-ylpropyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-(3-imidazol-1-ylpropyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide (CID 10073602) is 5-ethyl-N-(3-imidazol-1-ylpropyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-(3-imidazol-1-ylpropyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-(3-imidazol-1-ylpropyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide is CCc1c(C(=O)NCCCn2ccnc2)cnn1-c1nc(-c2cccc(C(F)(F)F)c2)cs1.
What is the InChIKey of 5-ethyl-N-(3-imidazol-1-ylpropyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The InChIKey is OKXGEMMGHMUBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6OS/c1-2-19-17(20(32)27-7-4-9-30-10-8-26-14-30)12-28-31(19)21-29-18(13-33-21)15-5-3-6-16(11-15)22(23,24)25/h3,5-6,8,10-14H,2,4,7,9H2,1H3,(H,27,32).
What are the key properties of 5-ethyl-N-(3-imidazol-1-ylpropyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
5-ethyl-N-(3-imidazol-1-ylpropyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide has a molecular weight of 474.51 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-imidazol-1-ylpropyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 10073602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).