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

C14H12N2O2S — CID 652252

IUPACmethyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCOC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1
InChIInChI=1S/C14H12N2O2S/c1-9-11-8-12(14(17)18-2)19-13(11)16(15-9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyYVCXWEOHTQHCQS-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.18
Rot. Bonds2

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

methyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate (PubChem CID 652252) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
PubChem CID652252
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Namemethyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCOC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1
InChIInChI=1S/C14H12N2O2S/c1-9-11-8-12(14(17)18-2)19-13(11)16(15-9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyYVCXWEOHTQHCQS-UHFFFAOYSA-N
XLogP3.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 2776541
1-methyl-3-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 2764166
ethyl 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
CID 678008
3-methyl-1-phenyl-1H-thieno(2,3-c)pyrazole-5-carboxylic acid
CID 802154
1-(4-fluorophenyl)-3-methyl-1H-thieno(2,3-c)pyrazole-5-carboxylic acid
CID 2329100
methyl 1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
CID 2807378
1-(4-chlorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 2314951
1-Benzyl-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 2363686
(2-Amino-2-oxoethyl) 3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxylate
CID 2503368
(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 2998933
1-(4-Fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid (2-oxo-3-oxolanyl) ester
CID 2999178
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 2999594

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate?
The IUPAC name of methyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate (CID 652252) is methyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate is COC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1.
What is the InChIKey of methyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate?
The InChIKey is YVCXWEOHTQHCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-9-11-8-12(14(17)18-2)19-13(11)16(15-9)10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of methyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate?
methyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate has a molecular weight of 272.33 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate is sourced from PubChem (CID 652252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).