3-methyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C25H24F3N5OS — CID 55788023

IUPAC3-methyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C(F)(F)F)cc12
InChIInChI=1S/C25H24F3N5OS/c1-16-19-15-22(35-24(19)33(30-16)17-6-4-3-5-7-17)23(34)29-21-9-8-18(14-20(21)25(26,27)28)32-12-10-31(2)11-13-32/h3-9,14-15H,10-13H2,1-2H3,(H,29,34)
InChIKeyQLBFSBLGLAXIMK-UHFFFAOYSA-N
MW499.56 g/mol
LogP5.42
Rot. Bonds4

About 3-methyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

3-methyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 55788023) has the molecular formula C25H24F3N5OS and a molecular weight of 499.56 g/mol. Its IUPAC name is 3-methyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID55788023
Molecular FormulaC25H24F3N5OS
Molecular Weight499.56 g/mol
Exact Mass499.17
IUPAC Name3-methyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C(F)(F)F)cc12
InChIInChI=1S/C25H24F3N5OS/c1-16-19-15-22(35-24(19)33(30-16)17-6-4-3-5-7-17)23(34)29-21-9-8-18(14-20(21)25(26,27)28)32-12-10-31(2)11-13-32/h3-9,14-15H,10-13H2,1-2H3,(H,29,34)
InChIKeyQLBFSBLGLAXIMK-UHFFFAOYSA-N
XLogP5.42
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.56
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-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

N-[2,3-difluoro-4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819615
1-(4-fluorophenyl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 46462449
3-methyl-1-phenyl-N-(4-piperazin-1-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 66819349
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2008259
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
3-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819577
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 16575164
3-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 55811805
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 55788275
N-(2-amino-2-methylpropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119626981
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
N-[5-fluoro-2-(pyridine-2-carbonylamino)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 55984963

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 55788023) is 3-methyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C(F)(F)F)cc12.
What is the InChIKey of 3-methyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is QLBFSBLGLAXIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5OS/c1-16-19-15-22(35-24(19)33(30-16)17-6-4-3-5-7-17)23(34)29-21-9-8-18(14-20(21)25(26,27)28)32-12-10-31(2)11-13-32/h3-9,14-15H,10-13H2,1-2H3,(H,29,34).
What are the key properties of 3-methyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
3-methyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 499.56 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 55788023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).