1-benzyl-3-methyl-N-quinolin-6-ylthieno[3,2-d]pyrazole-5-carboxamide

C23H18N4OS — CID 112833650

IUPAC1-benzyl-3-methyl-N-quinolin-6-ylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)Nc3ccc4ncccc4c3)cc12
InChIInChI=1S/C23H18N4OS/c1-15-19-13-21(29-23(19)27(26-15)14-16-6-3-2-4-7-16)22(28)25-18-9-10-20-17(12-18)8-5-11-24-20/h2-13H,14H2,1H3,(H,25,28)
InChIKeyJWKFTBDQHHWYMV-UHFFFAOYSA-N
MW398.49 g/mol
LogP5.26
Rot. Bonds4

About 1-benzyl-3-methyl-N-quinolin-6-ylthieno[3,2-d]pyrazole-5-carboxamide

1-benzyl-3-methyl-N-quinolin-6-ylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 112833650) has the molecular formula C23H18N4OS and a molecular weight of 398.49 g/mol. Its IUPAC name is 1-benzyl-3-methyl-N-quinolin-6-ylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-methyl-N-quinolin-6-ylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID112833650
Molecular FormulaC23H18N4OS
Molecular Weight398.49 g/mol
Exact Mass398.12
IUPAC Name1-benzyl-3-methyl-N-quinolin-6-ylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)Nc3ccc4ncccc4c3)cc12
InChIInChI=1S/C23H18N4OS/c1-15-19-13-21(29-23(19)27(26-15)14-16-6-3-2-4-7-16)22(28)25-18-9-10-20-17(12-18)8-5-11-24-20/h2-13H,14H2,1H3,(H,25,28)
InChIKeyJWKFTBDQHHWYMV-UHFFFAOYSA-N
XLogP5.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[4-(2-methoxyethoxy)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112821607
1-benzyl-N-isoquinolin-5-yl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8763036
1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8797532
1-benzyl-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 24560325
1-benzyl-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 26072972
1-benzyl-3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 112826450
N-(2-benzamidoethyl)-1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24659947
1-benzyl-N-(2-methoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 2430094
N-(3-acetylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 7958946
1-benzyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 17440886
1-benzyl-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 136961159
1-benzyl-3-methyl-N-(2-pyrrolidin-1-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 112770174

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-N-quinolin-6-ylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-benzyl-3-methyl-N-quinolin-6-ylthieno[3,2-d]pyrazole-5-carboxamide (CID 112833650) is 1-benzyl-3-methyl-N-quinolin-6-ylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-benzyl-3-methyl-N-quinolin-6-ylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-benzyl-3-methyl-N-quinolin-6-ylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3ccc4ncccc4c3)cc12.
What is the InChIKey of 1-benzyl-3-methyl-N-quinolin-6-ylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is JWKFTBDQHHWYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4OS/c1-15-19-13-21(29-23(19)27(26-15)14-16-6-3-2-4-7-16)22(28)25-18-9-10-20-17(12-18)8-5-11-24-20/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of 1-benzyl-3-methyl-N-quinolin-6-ylthieno[3,2-d]pyrazole-5-carboxamide?
1-benzyl-3-methyl-N-quinolin-6-ylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-N-quinolin-6-ylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 112833650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).