3-(methoxymethyl)-1-propan-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid

C11H14N2O3S — CID 62318653

IUPAC3-(methoxymethyl)-1-propan-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid
SMILESCOCc1nn(C(C)C)c2sc(C(=O)O)cc12
InChIInChI=1S/C11H14N2O3S/c1-6(2)13-10-7(8(12-13)5-16-3)4-9(17-10)11(14)15/h4,6H,5H2,1-3H3,(H,14,15)
InChIKeyXOLNTQWRLILXPJ-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.52
Rot. Bonds4

About 3-(methoxymethyl)-1-propan-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid

3-(methoxymethyl)-1-propan-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid (PubChem CID 62318653) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-propan-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(methoxymethyl)-1-propan-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid
PubChem CID62318653
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name3-(methoxymethyl)-1-propan-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid
SMILESCOCc1nn(C(C)C)c2sc(C(=O)O)cc12
InChIInChI=1S/C11H14N2O3S/c1-6(2)13-10-7(8(12-13)5-16-3)4-9(17-10)11(14)15/h4,6H,5H2,1-3H3,(H,14,15)
InChIKeyXOLNTQWRLILXPJ-UHFFFAOYSA-N
XLogP2.52
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-propan-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid?
The IUPAC name of 3-(methoxymethyl)-1-propan-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid (CID 62318653) is 3-(methoxymethyl)-1-propan-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(methoxymethyl)-1-propan-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(methoxymethyl)-1-propan-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid is COCc1nn(C(C)C)c2sc(C(=O)O)cc12.
What is the InChIKey of 3-(methoxymethyl)-1-propan-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid?
The InChIKey is XOLNTQWRLILXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-6(2)13-10-7(8(12-13)5-16-3)4-9(17-10)11(14)15/h4,6H,5H2,1-3H3,(H,14,15).
What are the key properties of 3-(methoxymethyl)-1-propan-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid?
3-(methoxymethyl)-1-propan-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-propan-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 62318653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).