1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid

C10H12N2O2S — CID 43145675

IUPAC1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCC(C)c1nn(C)c2sc(C(=O)O)cc12
InChIInChI=1S/C10H12N2O2S/c1-5(2)8-6-4-7(10(13)14)15-9(6)12(3)11-8/h4-5H,1-3H3,(H,13,14)
InChIKeyXVYIJKPPQWYKEU-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.46
Rot. Bonds2

About 1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid

1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid (PubChem CID 43145675) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
PubChem CID43145675
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCC(C)c1nn(C)c2sc(C(=O)O)cc12
InChIInChI=1S/C10H12N2O2S/c1-5(2)8-6-4-7(10(13)14)15-9(6)12(3)11-8/h4-5H,1-3H3,(H,13,14)
InChIKeyXVYIJKPPQWYKEU-UHFFFAOYSA-N
XLogP2.46
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid (CID 43145675) is 1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid is CC(C)c1nn(C)c2sc(C(=O)O)cc12.
What is the InChIKey of 1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
The InChIKey is XVYIJKPPQWYKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-5(2)8-6-4-7(10(13)14)15-9(6)12(3)11-8/h4-5H,1-3H3,(H,13,14).
What are the key properties of 1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid has a molecular weight of 224.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 43145675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).