3-(5-methyl-2H-thieno[3,2-c]pyrazol-3-yl)propanoic acid

C9H10N2O2S — CID 96614420

IUPAC3-(5-methyl-2H-thieno[3,2-c]pyrazol-3-yl)propanoic acid
SMILESCc1cc2n[nH]c(CCC(=O)O)c2s1
InChIInChI=1S/C9H10N2O2S/c1-5-4-7-9(14-5)6(10-11-7)2-3-8(12)13/h4H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyUNDFMOXWSWXYHG-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.95
Rot. Bonds3

About 3-(5-methyl-2H-thieno[3,2-c]pyrazol-3-yl)propanoic acid

3-(5-methyl-2H-thieno[3,2-c]pyrazol-3-yl)propanoic acid (PubChem CID 96614420) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 3-(5-methyl-2H-thieno[3,2-c]pyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-methyl-2H-thieno[3,2-c]pyrazol-3-yl)propanoic acid
PubChem CID96614420
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name3-(5-methyl-2H-thieno[3,2-c]pyrazol-3-yl)propanoic acid
SMILESCc1cc2n[nH]c(CCC(=O)O)c2s1
InChIInChI=1S/C9H10N2O2S/c1-5-4-7-9(14-5)6(10-11-7)2-3-8(12)13/h4H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyUNDFMOXWSWXYHG-UHFFFAOYSA-N
XLogP1.95
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2H-thieno[3,2-c]pyrazol-3-yl)propanoic acid?
The IUPAC name of 3-(5-methyl-2H-thieno[3,2-c]pyrazol-3-yl)propanoic acid (CID 96614420) is 3-(5-methyl-2H-thieno[3,2-c]pyrazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(5-methyl-2H-thieno[3,2-c]pyrazol-3-yl)propanoic acid?
The canonical SMILES for 3-(5-methyl-2H-thieno[3,2-c]pyrazol-3-yl)propanoic acid is Cc1cc2n[nH]c(CCC(=O)O)c2s1.
What is the InChIKey of 3-(5-methyl-2H-thieno[3,2-c]pyrazol-3-yl)propanoic acid?
The InChIKey is UNDFMOXWSWXYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-5-4-7-9(14-5)6(10-11-7)2-3-8(12)13/h4H,2-3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 3-(5-methyl-2H-thieno[3,2-c]pyrazol-3-yl)propanoic acid?
3-(5-methyl-2H-thieno[3,2-c]pyrazol-3-yl)propanoic acid has a molecular weight of 210.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2H-thieno[3,2-c]pyrazol-3-yl)propanoic acid is sourced from PubChem (CID 96614420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).