5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylic acid

C9H8N2O2S — CID 4660499

IUPAC5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)n[nH]2)s1
InChIInChI=1S/C9H8N2O2S/c1-5-2-3-8(14-5)6-4-7(9(12)13)11-10-6/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyJIJVBLCUMDFCFW-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.14
Rot. Bonds2

About 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylic acid

5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylic acid (PubChem CID 4660499) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylic acid
PubChem CID4660499
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)n[nH]2)s1
InChIInChI=1S/C9H8N2O2S/c1-5-2-3-8(14-5)6-4-7(9(12)13)11-10-6/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyJIJVBLCUMDFCFW-UHFFFAOYSA-N
XLogP2.14
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylic acid (CID 4660499) is 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)n[nH]2)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylic acid?
The InChIKey is JIJVBLCUMDFCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-5-2-3-8(14-5)6-4-7(9(12)13)11-10-6/h2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylic acid?
5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 4660499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).