N-(2,4-dichlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C19H13Cl2N3OS — CID 1079713

IUPACN-(2,4-dichlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C19H13Cl2N3OS/c1-11-14-10-17(18(25)22-16-8-7-12(20)9-15(16)21)26-19(14)24(23-11)13-5-3-2-4-6-13/h2-10H,1H3,(H,22,25)
InChIKeyPRXVREDFTXCDGU-UHFFFAOYSA-N
MW402.31 g/mol
LogP5.95
Rot. Bonds3

About N-(2,4-dichlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-(2,4-dichlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 1079713) has the molecular formula C19H13Cl2N3OS and a molecular weight of 402.31 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID1079713
Molecular FormulaC19H13Cl2N3OS
Molecular Weight402.31 g/mol
Exact Mass401.02
IUPAC NameN-(2,4-dichlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C19H13Cl2N3OS/c1-11-14-10-17(18(25)22-16-8-7-12(20)9-15(16)21)26-19(14)24(23-11)13-5-3-2-4-6-13/h2-10H,1H3,(H,22,25)
InChIKeyPRXVREDFTXCDGU-UHFFFAOYSA-N
XLogP5.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.31
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,4-dichlorophenyl)-3-methyl-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

3-methyl-N-(3-methylphenyl)-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 755153
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
N-(4-acetylphenyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1452121
N-(4-bromophenyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1083422
N-(3-bromophenyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1111667
N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1471455
N-(2-bromophenyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1844590
1-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxamide
CID 2330460
N,1,3-triphenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 3544807
1-(4-Chlorophenyl)-N-(4-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide hydrochloride
CID 16237780

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 1079713) is N-(2,4-dichlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(Cl)cc3Cl)cc12.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is PRXVREDFTXCDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3OS/c1-11-14-10-17(18(25)22-16-8-7-12(20)9-15(16)21)26-19(14)24(23-11)13-5-3-2-4-6-13/h2-10H,1H3,(H,22,25).
What are the key properties of N-(2,4-dichlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-(2,4-dichlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 402.31 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 1079713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).