2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylic acid

C11H7N3O2S — CID 171491032

IUPAC2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc2nn(-c3cccnc3)cc2s1
InChIInChI=1S/C11H7N3O2S/c15-11(16)9-4-8-10(17-9)6-14(13-8)7-2-1-3-12-5-7/h1-6H,(H,15,16)
InChIKeyCMIFCSHXCSESHN-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.18
Rot. Bonds2

About 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylic acid

2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylic acid (PubChem CID 171491032) has the molecular formula C11H7N3O2S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylic acid
PubChem CID171491032
Molecular FormulaC11H7N3O2S
Molecular Weight245.26 g/mol
Exact Mass245.03
IUPAC Name2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc2nn(-c3cccnc3)cc2s1
InChIInChI=1S/C11H7N3O2S/c15-11(16)9-4-8-10(17-9)6-14(13-8)7-2-1-3-12-5-7/h1-6H,(H,15,16)
InChIKeyCMIFCSHXCSESHN-UHFFFAOYSA-N
XLogP2.18
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylic acid?
The IUPAC name of 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylic acid (CID 171491032) is 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylic acid.
What is the SMILES notation for 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylic acid?
The canonical SMILES for 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylic acid is O=C(O)c1cc2nn(-c3cccnc3)cc2s1.
What is the InChIKey of 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylic acid?
The InChIKey is CMIFCSHXCSESHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S/c15-11(16)9-4-8-10(17-9)6-14(13-8)7-2-1-3-12-5-7/h1-6H,(H,15,16).
What are the key properties of 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylic acid?
2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylic acid has a molecular weight of 245.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 171491032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).