ethyl 1-benzyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate

C21H18N2O2S — CID 59986502

IUPACethyl 1-benzyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(-c3ccccc3)nn(Cc3ccccc3)c2s1
InChIInChI=1S/C21H18N2O2S/c1-2-25-21(24)18-13-17-19(16-11-7-4-8-12-16)22-23(20(17)26-18)14-15-9-5-3-6-10-15/h3-13H,2,14H2,1H3
InChIKeyBMMMINCATVNTHG-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.99
Rot. Bonds5

About ethyl 1-benzyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate

ethyl 1-benzyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate (PubChem CID 59986502) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is ethyl 1-benzyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate
PubChem CID59986502
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Nameethyl 1-benzyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(-c3ccccc3)nn(Cc3ccccc3)c2s1
InChIInChI=1S/C21H18N2O2S/c1-2-25-21(24)18-13-17-19(16-11-7-4-8-12-16)22-23(20(17)26-18)14-15-9-5-3-6-10-15/h3-13H,2,14H2,1H3
InChIKeyBMMMINCATVNTHG-UHFFFAOYSA-N
XLogP4.99
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-benzyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 59986498
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 18130405
ethyl 3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 3482605
[2-(2-methylanilino)-2-oxoethyl] 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 2108980
[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 40765052
2-oxopropyl 3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxylate
CID 7962986
1-benzyl-3-butylthieno[2,3-c]pyrazole-5-carboxylic acid
CID 82184016
(2-amino-2-oxoethyl) 1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 2122510
(3-acetamidophenyl) 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 8874054
(3,3-dimethyl-2-oxobutyl) 3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxylate
CID 7484238
methyl 2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylpentanoate
CID 112822199
azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
CID 8502494

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate?
The IUPAC name of ethyl 1-benzyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate (CID 59986502) is ethyl 1-benzyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-benzyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate is CCOC(=O)c1cc2c(-c3ccccc3)nn(Cc3ccccc3)c2s1.
What is the InChIKey of ethyl 1-benzyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate?
The InChIKey is BMMMINCATVNTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-2-25-21(24)18-13-17-19(16-11-7-4-8-12-16)22-23(20(17)26-18)14-15-9-5-3-6-10-15/h3-13H,2,14H2,1H3.
What are the key properties of ethyl 1-benzyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate?
ethyl 1-benzyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate has a molecular weight of 362.45 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate is sourced from PubChem (CID 59986502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).