1-benzyl-N-(2,5-dimethoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C22H21N3O3S — CID 9098488

IUPAC1-benzyl-N-(2,5-dimethoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)c1
InChIInChI=1S/C22H21N3O3S/c1-14-17-12-20(21(26)23-18-11-16(27-2)9-10-19(18)28-3)29-22(17)25(24-14)13-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,23,26)
InChIKeyAHOQGBQCVCEJOS-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.72
Rot. Bonds6

About 1-benzyl-N-(2,5-dimethoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide

1-benzyl-N-(2,5-dimethoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 9098488) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 1-benzyl-N-(2,5-dimethoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2,5-dimethoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID9098488
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name1-benzyl-N-(2,5-dimethoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)c1
InChIInChI=1S/C22H21N3O3S/c1-14-17-12-20(21(26)23-18-11-16(27-2)9-10-19(18)28-3)29-22(17)25(24-14)13-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,23,26)
InChIKeyAHOQGBQCVCEJOS-UHFFFAOYSA-N
XLogP4.72
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-(2-methoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 2430094
1-benzyl-N-[4-(2-methoxyethoxy)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112821607
1-benzyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112765265
1-benzyl-N-[2-(4-methoxyphenoxy)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8935218
methyl 3-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoate
CID 26923771
N-(4,5-dimethoxy-2-methylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 26833140
1-benzyl-3-methyl-N-(2-pyrrolidin-1-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 112770174
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-N-isoquinolin-5-yl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8763036
N-(5-acetamido-2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 42091924
1-benzyl-3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 112826450

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,5-dimethoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-benzyl-N-(2,5-dimethoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 9098488) is 1-benzyl-N-(2,5-dimethoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2,5-dimethoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-benzyl-N-(2,5-dimethoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is COc1ccc(OC)c(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)c1.
What is the InChIKey of 1-benzyl-N-(2,5-dimethoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is AHOQGBQCVCEJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-14-17-12-20(21(26)23-18-11-16(27-2)9-10-19(18)28-3)29-22(17)25(24-14)13-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,23,26).
What are the key properties of 1-benzyl-N-(2,5-dimethoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-benzyl-N-(2,5-dimethoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,5-dimethoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 9098488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).