1,3,4-trimethylthieno[3,2-d]pyrazole-5-carboxylic acid

C9H10N2O2S — CID 82184007

IUPAC1,3,4-trimethylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCc1nn(C)c2sc(C(=O)O)c(C)c12
InChIInChI=1S/C9H10N2O2S/c1-4-6-5(2)10-11(3)8(6)14-7(4)9(12)13/h1-3H3,(H,12,13)
InChIKeyJSBLVGMFIPBROV-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.95
Rot. Bonds1

About 1,3,4-trimethylthieno[3,2-d]pyrazole-5-carboxylic acid

1,3,4-trimethylthieno[3,2-d]pyrazole-5-carboxylic acid (PubChem CID 82184007) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 1,3,4-trimethylthieno[3,2-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1,3,4-trimethylthieno[3,2-d]pyrazole-5-carboxylic acid
PubChem CID82184007
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name1,3,4-trimethylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCc1nn(C)c2sc(C(=O)O)c(C)c12
InChIInChI=1S/C9H10N2O2S/c1-4-6-5(2)10-11(3)8(6)14-7(4)9(12)13/h1-3H3,(H,12,13)
InChIKeyJSBLVGMFIPBROV-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethylthieno[3,2-d]pyrazole-5-carboxylic acid?
The IUPAC name of 1,3,4-trimethylthieno[3,2-d]pyrazole-5-carboxylic acid (CID 82184007) is 1,3,4-trimethylthieno[3,2-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1,3,4-trimethylthieno[3,2-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 1,3,4-trimethylthieno[3,2-d]pyrazole-5-carboxylic acid is Cc1nn(C)c2sc(C(=O)O)c(C)c12.
What is the InChIKey of 1,3,4-trimethylthieno[3,2-d]pyrazole-5-carboxylic acid?
The InChIKey is JSBLVGMFIPBROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-4-6-5(2)10-11(3)8(6)14-7(4)9(12)13/h1-3H3,(H,12,13).
What are the key properties of 1,3,4-trimethylthieno[3,2-d]pyrazole-5-carboxylic acid?
1,3,4-trimethylthieno[3,2-d]pyrazole-5-carboxylic acid has a molecular weight of 210.26 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethylthieno[3,2-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 82184007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).