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

C20H17N3OS — CID 755153

IUPAC3-methyl-N-(3-methylphenyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1
InChIInChI=1S/C20H17N3OS/c1-13-7-6-8-15(11-13)21-19(24)18-12-17-14(2)22-23(20(17)25-18)16-9-4-3-5-10-16/h3-12H,1-2H3,(H,21,24)
InChIKeyIZVKPGSMOAIUJO-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.96
Rot. Bonds3

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

3-methyl-N-(3-methylphenyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 755153) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-methyl-N-(3-methylphenyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylphenyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID755153
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name3-methyl-N-(3-methylphenyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1
InChIInChI=1S/C20H17N3OS/c1-13-7-6-8-15(11-13)21-19(24)18-12-17-14(2)22-23(20(17)25-18)16-9-4-3-5-10-16/h3-12H,1-2H3,(H,21,24)
InChIKeyIZVKPGSMOAIUJO-UHFFFAOYSA-N
XLogP4.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CB2 Inhibitor, 2
CID 16376054
N,1-dimethyl-3-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1484439
3-Methyl-5-(4-morpholinylcarbonyl)-1-phenyl-1H-thieno[2,3-c]pyrazole
CID 617776
3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyrazole-5-carboxamide
CID 663824
N-cyclopropyl-3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide
CID 944105
(3-Methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-methanone
CID 1076000
N-(3-chlorophenyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1125181
N-(4-acetylphenyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1452121
1-cyclohexyl-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 44610732
N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46175179
N-[1-(4-acetylpiperazin-1-yl)propan-2-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46231930
N-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 2808477

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylphenyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(3-methylphenyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 755153) is 3-methyl-N-(3-methylphenyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methylphenyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methylphenyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1cccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1.
What is the InChIKey of 3-methyl-N-(3-methylphenyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is IZVKPGSMOAIUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-13-7-6-8-15(11-13)21-19(24)18-12-17-14(2)22-23(20(17)25-18)16-9-4-3-5-10-16/h3-12H,1-2H3,(H,21,24).
What are the key properties of 3-methyl-N-(3-methylphenyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
3-methyl-N-(3-methylphenyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylphenyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 755153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).