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

C6H5N3O2S — CID 83681169

IUPAC3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylic acid
SMILESNc1n[nH]c2cc(C(=O)O)sc12
InChIInChI=1S/C6H5N3O2S/c7-5-4-2(8-9-5)1-3(12-4)6(10)11/h1H,(H,10,11)(H3,7,8,9)
InChIKeyDUZOZCCLEDGCCM-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.90
Rot. Bonds1

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

3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylic acid (PubChem CID 83681169) has the molecular formula C6H5N3O2S and a molecular weight of 183.19 g/mol. Its IUPAC name is 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylic acid
PubChem CID83681169
Molecular FormulaC6H5N3O2S
Molecular Weight183.19 g/mol
Exact Mass183.01
IUPAC Name3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylic acid
SMILESNc1n[nH]c2cc(C(=O)O)sc12
InChIInChI=1S/C6H5N3O2S/c7-5-4-2(8-9-5)1-3(12-4)6(10)11/h1H,(H,10,11)(H3,7,8,9)
InChIKeyDUZOZCCLEDGCCM-UHFFFAOYSA-N
XLogP0.90
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylic acid?
The IUPAC name of 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylic acid (CID 83681169) is 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylic acid?
The canonical SMILES for 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylic acid is Nc1n[nH]c2cc(C(=O)O)sc12.
What is the InChIKey of 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylic acid?
The InChIKey is DUZOZCCLEDGCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2S/c7-5-4-2(8-9-5)1-3(12-4)6(10)11/h1H,(H,10,11)(H3,7,8,9).
What are the key properties of 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylic acid?
3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylic acid has a molecular weight of 183.19 g/mol, XLogP of 0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 83681169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).