N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide

C20H17N3OS — CID 46107140

IUPACN-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide
SMILESCc1cccc(-n2nc(NC(=O)c3cc4ccccc4s3)cc2C)c1
InChIInChI=1S/C20H17N3OS/c1-13-6-5-8-16(10-13)23-14(2)11-19(22-23)21-20(24)18-12-15-7-3-4-9-17(15)25-18/h3-12H,1-2H3,(H,21,22,24)
InChIKeyHYWNMXBEIIPYNU-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.96
Rot. Bonds3

About N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide

N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide (PubChem CID 46107140) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide
PubChem CID46107140
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC NameN-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide
SMILESCc1cccc(-n2nc(NC(=O)c3cc4ccccc4s3)cc2C)c1
InChIInChI=1S/C20H17N3OS/c1-13-6-5-8-16(10-13)23-14(2)11-19(22-23)21-20(24)18-12-15-7-3-4-9-17(15)25-18/h3-12H,1-2H3,(H,21,22,24)
InChIKeyHYWNMXBEIIPYNU-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

N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 35029727
2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide
CID 46107138
N-(2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 27844987
N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1-benzothiophene-2-carboxamide
CID 122316823
N-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 102674100
4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide
CID 46107065
N-(2-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 75430284
N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 60793818
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide
CID 46107110
N-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 79513540
N-(2-methoxyphenyl)-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 3350386
N-(1-methylpyrazol-4-yl)-1-benzothiophene-2-carboxamide
CID 32605407

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide (CID 46107140) is N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide is Cc1cccc(-n2nc(NC(=O)c3cc4ccccc4s3)cc2C)c1.
What is the InChIKey of N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is HYWNMXBEIIPYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-13-6-5-8-16(10-13)23-14(2)11-19(22-23)21-20(24)18-12-15-7-3-4-9-17(15)25-18/h3-12H,1-2H3,(H,21,22,24).
What are the key properties of N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide?
N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]-1-benzothiophene-2-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 N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 46107140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).