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

C8H5ClN2O2S — CID 3156992

IUPAC5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)s2)[nH]n1
InChIInChI=1S/C8H5ClN2O2S/c9-7-2-1-6(14-7)4-3-5(8(12)13)11-10-4/h1-3H,(H,10,11)(H,12,13)
InChIKeyGYIXQBMJJZNZJW-UHFFFAOYSA-N
MW228.66 g/mol
LogP2.49
Rot. Bonds2

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

5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid (PubChem CID 3156992) has the molecular formula C8H5ClN2O2S and a molecular weight of 228.66 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid
PubChem CID3156992
Molecular FormulaC8H5ClN2O2S
Molecular Weight228.66 g/mol
Exact Mass227.98
IUPAC Name5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)s2)[nH]n1
InChIInChI=1S/C8H5ClN2O2S/c9-7-2-1-6(14-7)4-3-5(8(12)13)11-10-4/h1-3H,(H,10,11)(H,12,13)
InChIKeyGYIXQBMJJZNZJW-UHFFFAOYSA-N
XLogP2.49
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.66
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid (CID 3156992) is 5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)s2)[nH]n1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid?
The InChIKey is GYIXQBMJJZNZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2S/c9-7-2-1-6(14-7)4-3-5(8(12)13)11-10-4/h1-3H,(H,10,11)(H,12,13).
What are the key properties of 5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid?
5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid has a molecular weight of 228.66 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 3156992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).