N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

C14H9ClF3N3OS — CID 1471455

IUPACN-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(Cl)cc3)sc21
InChIInChI=1S/C14H9ClF3N3OS/c1-21-13-9(11(20-21)14(16,17)18)6-10(23-13)12(22)19-8-4-2-7(15)3-5-8/h2-6H,1H3,(H,19,22)
InChIKeyHEGDVHBPSHHNFL-UHFFFAOYSA-N
MW359.76 g/mol
LogP4.56
Rot. Bonds2

About N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 1471455) has the molecular formula C14H9ClF3N3OS and a molecular weight of 359.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID1471455
Molecular FormulaC14H9ClF3N3OS
Molecular Weight359.76 g/mol
Exact Mass359.01
IUPAC NameN-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(Cl)cc3)sc21
InChIInChI=1S/C14H9ClF3N3OS/c1-21-13-9(11(20-21)14(16,17)18)6-10(23-13)12(22)19-8-4-2-7(15)3-5-8/h2-6H,1H3,(H,19,22)
InChIKeyHEGDVHBPSHHNFL-UHFFFAOYSA-N
XLogP4.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.76
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)thieno[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-[butyl(ethyl)amino]ethyl}-3-(4-chlorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 16007418
N-cyclohexyl-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 651459
3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylthieno[2,3-c]pyrazole-5-carboxamide
CID 5309908
3-(4-chlorophenyl)-N-[2-(dipropylamino)ethyl]-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 16007420
CB2 Inhibitor, 2
CID 16376054
N,1-dimethyl-3-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1484439
N-cyclopropyl-3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide
CID 944105
N-(3-chlorophenyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1125181
N-(3-chloro-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 2808495
3-(4-chlorophenyl)-1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]thieno[2,3-c]pyrazole-5-carboxamide
CID 5308230
N-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 2808477
1-Methyl-3-trifluoromethyl-1H-thieno[2,3-C]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide
CID 6852193

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 1471455) is N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(Cl)cc3)sc21.
What is the InChIKey of N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is HEGDVHBPSHHNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3OS/c1-21-13-9(11(20-21)14(16,17)18)6-10(23-13)12(22)19-8-4-2-7(15)3-5-8/h2-6H,1H3,(H,19,22).
What are the key properties of N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 359.76 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 1471455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).