1-methyl-3-(propan-2-ylsulfanylmethyl)thieno[2,3-c]pyrazole-5-carboxylic acid

C11H14N2O2S2 — CID 82184012

IUPAC1-methyl-3-(propan-2-ylsulfanylmethyl)thieno[2,3-c]pyrazole-5-carboxylic acid
SMILESCC(C)SCc1nn(C)c2sc(C(=O)O)cc12
InChIInChI=1S/C11H14N2O2S2/c1-6(2)16-5-8-7-4-9(11(14)15)17-10(7)13(3)12-8/h4,6H,5H2,1-3H3,(H,14,15)
InChIKeyFVVRNGRWSWPHHZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.97
Rot. Bonds4

About 1-methyl-3-(propan-2-ylsulfanylmethyl)thieno[2,3-c]pyrazole-5-carboxylic acid

1-methyl-3-(propan-2-ylsulfanylmethyl)thieno[2,3-c]pyrazole-5-carboxylic acid (PubChem CID 82184012) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-methyl-3-(propan-2-ylsulfanylmethyl)thieno[2,3-c]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-(propan-2-ylsulfanylmethyl)thieno[2,3-c]pyrazole-5-carboxylic acid
PubChem CID82184012
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC Name1-methyl-3-(propan-2-ylsulfanylmethyl)thieno[2,3-c]pyrazole-5-carboxylic acid
SMILESCC(C)SCc1nn(C)c2sc(C(=O)O)cc12
InChIInChI=1S/C11H14N2O2S2/c1-6(2)16-5-8-7-4-9(11(14)15)17-10(7)13(3)12-8/h4,6H,5H2,1-3H3,(H,14,15)
InChIKeyFVVRNGRWSWPHHZ-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(propan-2-ylsulfanylmethyl)thieno[2,3-c]pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-3-(propan-2-ylsulfanylmethyl)thieno[2,3-c]pyrazole-5-carboxylic acid (CID 82184012) is 1-methyl-3-(propan-2-ylsulfanylmethyl)thieno[2,3-c]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-3-(propan-2-ylsulfanylmethyl)thieno[2,3-c]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-3-(propan-2-ylsulfanylmethyl)thieno[2,3-c]pyrazole-5-carboxylic acid is CC(C)SCc1nn(C)c2sc(C(=O)O)cc12.
What is the InChIKey of 1-methyl-3-(propan-2-ylsulfanylmethyl)thieno[2,3-c]pyrazole-5-carboxylic acid?
The InChIKey is FVVRNGRWSWPHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c1-6(2)16-5-8-7-4-9(11(14)15)17-10(7)13(3)12-8/h4,6H,5H2,1-3H3,(H,14,15).
What are the key properties of 1-methyl-3-(propan-2-ylsulfanylmethyl)thieno[2,3-c]pyrazole-5-carboxylic acid?
1-methyl-3-(propan-2-ylsulfanylmethyl)thieno[2,3-c]pyrazole-5-carboxylic acid has a molecular weight of 270.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(propan-2-ylsulfanylmethyl)thieno[2,3-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 82184012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).