N-(3,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide

C19H19N3OS — CID 20948585

IUPACN-(3,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nn(C)c3c2CCc2sccc2-3)cc1C
InChIInChI=1S/C19H19N3OS/c1-11-4-5-13(10-12(11)2)20-19(23)17-15-6-7-16-14(8-9-24-16)18(15)22(3)21-17/h4-5,8-10H,6-7H2,1-3H3,(H,20,23)
InChIKeyBLZUYTIWIVULQW-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.12
Rot. Bonds2

About N-(3,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide

N-(3,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide (PubChem CID 20948585) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
PubChem CID20948585
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-(3,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nn(C)c3c2CCc2sccc2-3)cc1C
InChIInChI=1S/C19H19N3OS/c1-11-4-5-13(10-12(11)2)20-19(23)17-15-6-7-16-14(8-9-24-16)18(15)22(3)21-17/h4-5,8-10H,6-7H2,1-3H3,(H,20,23)
InChIKeyBLZUYTIWIVULQW-UHFFFAOYSA-N
XLogP4.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 20948598
N-(2,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 20948601
N-cycloheptyl-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 20948522
N-(3,4-dimethylphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 20873262
1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 93068839
1-methyl-N-(3-morpholin-4-ylpropyl)-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 46340969
1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 93068846
N-(3-bromo-4-methylphenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389094
N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685886
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 835667
1-methyl-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389066
N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 573313

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide (CID 20948585) is N-(3,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide is Cc1ccc(NC(=O)c2nn(C)c3c2CCc2sccc2-3)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
The InChIKey is BLZUYTIWIVULQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-11-4-5-13(10-12(11)2)20-19(23)17-15-6-7-16-14(8-9-24-16)18(15)22(3)21-17/h4-5,8-10H,6-7H2,1-3H3,(H,20,23).
What are the key properties of N-(3,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
N-(3,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide is sourced from PubChem (CID 20948585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).