1-benzyl-N-[4-(2-methoxyethoxy)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C23H23N3O3S — CID 112821607

IUPAC1-benzyl-N-[4-(2-methoxyethoxy)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)cc1
InChIInChI=1S/C23H23N3O3S/c1-16-20-14-21(30-23(20)26(25-16)15-17-6-4-3-5-7-17)22(27)24-18-8-10-19(11-9-18)29-13-12-28-2/h3-11,14H,12-13,15H2,1-2H3,(H,24,27)
InChIKeySZYNOMJOAXSZKP-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.73
Rot. Bonds8

About 1-benzyl-N-[4-(2-methoxyethoxy)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

1-benzyl-N-[4-(2-methoxyethoxy)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 112821607) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 1-benzyl-N-[4-(2-methoxyethoxy)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-(2-methoxyethoxy)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID112821607
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name1-benzyl-N-[4-(2-methoxyethoxy)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)cc1
InChIInChI=1S/C23H23N3O3S/c1-16-20-14-21(30-23(20)26(25-16)15-17-6-4-3-5-7-17)22(27)24-18-8-10-19(11-9-18)29-13-12-28-2/h3-11,14H,12-13,15H2,1-2H3,(H,24,27)
InChIKeySZYNOMJOAXSZKP-UHFFFAOYSA-N
XLogP4.73
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-[2-(4-methoxyphenoxy)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8935218
1-benzyl-N-(2,5-dimethoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 9098488
1-benzyl-N-(2-methoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 2430094
1-benzyl-3-methyl-N-quinolin-6-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 112833650
1-benzyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112765265
1-benzyl-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 26072972
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
methyl 3-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoate
CID 26923771
1-benzyl-3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 112826450
N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8712768
1-benzyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 17440886

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-(2-methoxyethoxy)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-benzyl-N-[4-(2-methoxyethoxy)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 112821607) is 1-benzyl-N-[4-(2-methoxyethoxy)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-(2-methoxyethoxy)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-(2-methoxyethoxy)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is COCCOc1ccc(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)cc1.
What is the InChIKey of 1-benzyl-N-[4-(2-methoxyethoxy)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is SZYNOMJOAXSZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-16-20-14-21(30-23(20)26(25-16)15-17-6-4-3-5-7-17)22(27)24-18-8-10-19(11-9-18)29-13-12-28-2/h3-11,14H,12-13,15H2,1-2H3,(H,24,27).
What are the key properties of 1-benzyl-N-[4-(2-methoxyethoxy)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-benzyl-N-[4-(2-methoxyethoxy)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-(2-methoxyethoxy)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 112821607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).