1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylic acid

C8H8N2O2S — CID 2776541

IUPAC1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCc1nn(C)c2sc(C(=O)O)cc12
InChIInChI=1S/C8H8N2O2S/c1-4-5-3-6(8(11)12)13-7(5)10(2)9-4/h3H,1-2H3,(H,11,12)
InChIKeyQRANSYHQSVJLHX-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.64
Rot. Bonds1

About 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylic acid

1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylic acid (PubChem CID 2776541) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylic acid
PubChem CID2776541
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCc1nn(C)c2sc(C(=O)O)cc12
InChIInChI=1S/C8H8N2O2S/c1-4-5-3-6(8(11)12)13-7(5)10(2)9-4/h3H,1-2H3,(H,11,12)
InChIKeyQRANSYHQSVJLHX-UHFFFAOYSA-N
XLogP1.64
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylic acid?
The IUPAC name of 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylic acid (CID 2776541) is 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylic acid is Cc1nn(C)c2sc(C(=O)O)cc12.
What is the InChIKey of 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylic acid?
The InChIKey is QRANSYHQSVJLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-4-5-3-6(8(11)12)13-7(5)10(2)9-4/h3H,1-2H3,(H,11,12).
What are the key properties of 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylic acid?
1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylic acid has a molecular weight of 196.23 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 2776541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).