1H-thieno[2,3-d]pyrazole-5-carboxylic acid

C6H4N2O2S — CID 59640827

IUPAC1H-thieno[2,3-d]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc2[nH]ncc2s1
InChIInChI=1S/C6H4N2O2S/c9-6(10)4-1-3-5(11-4)2-7-8-3/h1-2H,(H,7,8)(H,9,10)
InChIKeyVZMXFSCEGDLKRG-UHFFFAOYSA-N
MW168.18 g/mol
LogP1.32
Rot. Bonds1

About 1H-thieno[2,3-d]pyrazole-5-carboxylic acid

1H-thieno[2,3-d]pyrazole-5-carboxylic acid (PubChem CID 59640827) has the molecular formula C6H4N2O2S and a molecular weight of 168.18 g/mol. Its IUPAC name is 1H-thieno[2,3-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1H-thieno[2,3-d]pyrazole-5-carboxylic acid
PubChem CID59640827
Molecular FormulaC6H4N2O2S
Molecular Weight168.18 g/mol
Exact Mass168.00
IUPAC Name1H-thieno[2,3-d]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc2[nH]ncc2s1
InChIInChI=1S/C6H4N2O2S/c9-6(10)4-1-3-5(11-4)2-7-8-3/h1-2H,(H,7,8)(H,9,10)
InChIKeyVZMXFSCEGDLKRG-UHFFFAOYSA-N
XLogP1.32
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-thieno[2,3-d]pyrazole-5-carboxylic acid?
The IUPAC name of 1H-thieno[2,3-d]pyrazole-5-carboxylic acid (CID 59640827) is 1H-thieno[2,3-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1H-thieno[2,3-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 1H-thieno[2,3-d]pyrazole-5-carboxylic acid is O=C(O)c1cc2[nH]ncc2s1.
What is the InChIKey of 1H-thieno[2,3-d]pyrazole-5-carboxylic acid?
The InChIKey is VZMXFSCEGDLKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O2S/c9-6(10)4-1-3-5(11-4)2-7-8-3/h1-2H,(H,7,8)(H,9,10).
What are the key properties of 1H-thieno[2,3-d]pyrazole-5-carboxylic acid?
1H-thieno[2,3-d]pyrazole-5-carboxylic acid has a molecular weight of 168.18 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-thieno[2,3-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 59640827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).