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

C9H10N2O2S — CID 96614418

IUPAC5-propan-2-yl-1H-thieno[3,2-c]pyrazole-3-carboxylic acid
SMILESCC(C)c1cc2[nH]nc(C(=O)O)c2s1
InChIInChI=1S/C9H10N2O2S/c1-4(2)6-3-5-8(14-6)7(9(12)13)11-10-5/h3-4H,1-2H3,(H,10,11)(H,12,13)
InChIKeyNUFJBNAIORHYEJ-UHFFFAOYSA-N
MW210.26 g/mol
LogP2.45
Rot. Bonds2

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

5-propan-2-yl-1H-thieno[3,2-c]pyrazole-3-carboxylic acid (PubChem CID 96614418) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 5-propan-2-yl-1H-thieno[3,2-c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-propan-2-yl-1H-thieno[3,2-c]pyrazole-3-carboxylic acid
PubChem CID96614418
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name5-propan-2-yl-1H-thieno[3,2-c]pyrazole-3-carboxylic acid
SMILESCC(C)c1cc2[nH]nc(C(=O)O)c2s1
InChIInChI=1S/C9H10N2O2S/c1-4(2)6-3-5-8(14-6)7(9(12)13)11-10-5/h3-4H,1-2H3,(H,10,11)(H,12,13)
InChIKeyNUFJBNAIORHYEJ-UHFFFAOYSA-N
XLogP2.45
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1H-thieno[3,2-c]pyrazole-3-carboxylic acid?
The IUPAC name of 5-propan-2-yl-1H-thieno[3,2-c]pyrazole-3-carboxylic acid (CID 96614418) is 5-propan-2-yl-1H-thieno[3,2-c]pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-propan-2-yl-1H-thieno[3,2-c]pyrazole-3-carboxylic acid?
The canonical SMILES for 5-propan-2-yl-1H-thieno[3,2-c]pyrazole-3-carboxylic acid is CC(C)c1cc2[nH]nc(C(=O)O)c2s1.
What is the InChIKey of 5-propan-2-yl-1H-thieno[3,2-c]pyrazole-3-carboxylic acid?
The InChIKey is NUFJBNAIORHYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-4(2)6-3-5-8(14-6)7(9(12)13)11-10-5/h3-4H,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 5-propan-2-yl-1H-thieno[3,2-c]pyrazole-3-carboxylic acid?
5-propan-2-yl-1H-thieno[3,2-c]pyrazole-3-carboxylic acid has a molecular weight of 210.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1H-thieno[3,2-c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 96614418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).