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

C20H16BrN3OS — CID 2022050

IUPACN-(4-bromophenyl)-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccccc1-n1nc(C)c2cc(C(=O)Nc3ccc(Br)cc3)sc21
InChIInChI=1S/C20H16BrN3OS/c1-12-5-3-4-6-17(12)24-20-16(13(2)23-24)11-18(26-20)19(25)22-15-9-7-14(21)8-10-15/h3-11H,1-2H3,(H,22,25)
InChIKeyLUMOPYBWZJDMSG-UHFFFAOYSA-N
MW426.34 g/mol
LogP5.72
Rot. Bonds3

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

N-(4-bromophenyl)-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 2022050) has the molecular formula C20H16BrN3OS and a molecular weight of 426.34 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID2022050
Molecular FormulaC20H16BrN3OS
Molecular Weight426.34 g/mol
Exact Mass425.02
IUPAC NameN-(4-bromophenyl)-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccccc1-n1nc(C)c2cc(C(=O)Nc3ccc(Br)cc3)sc21
InChIInChI=1S/C20H16BrN3OS/c1-12-5-3-4-6-17(12)24-20-16(13(2)23-24)11-18(26-20)19(25)22-15-9-7-14(21)8-10-15/h3-11H,1-2H3,(H,22,25)
InChIKeyLUMOPYBWZJDMSG-UHFFFAOYSA-N
XLogP5.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.34
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-bromophenyl)-3-methyl-1-(2-methylphenyl)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

1-(4-bromophenyl)-N-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 3882124
3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxylic acid
CID 16637061
N-(2-methoxyphenyl)-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2024685
1-(2-chlorophenyl)-N-[4-(diethylcarbamoyl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 16546983
3-methyl-N-[4-(methylcarbamoylamino)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46540625
3-methyl-1-phenyl-N-(4-piperazin-1-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 66819349
1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55515718
5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide
CID 140862073
1-(2-chlorophenyl)-3-methyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 4028773
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 5019286
3-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819577

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 2022050) is N-(4-bromophenyl)-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1ccccc1-n1nc(C)c2cc(C(=O)Nc3ccc(Br)cc3)sc21.
What is the InChIKey of N-(4-bromophenyl)-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is LUMOPYBWZJDMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3OS/c1-12-5-3-4-6-17(12)24-20-16(13(2)23-24)11-18(26-20)19(25)22-15-9-7-14(21)8-10-15/h3-11H,1-2H3,(H,22,25).
What are the key properties of N-(4-bromophenyl)-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
N-(4-bromophenyl)-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 426.34 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 2022050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).