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

C8H4Cl2N2O2S — CID 21071147

IUPAC4-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c(-c2ccc(Cl)s2)c1Cl
InChIInChI=1S/C8H4Cl2N2O2S/c9-4-2-1-3(15-4)6-5(10)7(8(13)14)12-11-6/h1-2H,(H,11,12)(H,13,14)
InChIKeyOWXNTBZCZYNLHW-UHFFFAOYSA-N
MW263.11 g/mol
LogP3.14
Rot. Bonds2

About 4-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid

4-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid (PubChem CID 21071147) has the molecular formula C8H4Cl2N2O2S and a molecular weight of 263.11 g/mol. Its IUPAC name is 4-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid
PubChem CID21071147
Molecular FormulaC8H4Cl2N2O2S
Molecular Weight263.11 g/mol
Exact Mass261.94
IUPAC Name4-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c(-c2ccc(Cl)s2)c1Cl
InChIInChI=1S/C8H4Cl2N2O2S/c9-4-2-1-3(15-4)6-5(10)7(8(13)14)12-11-6/h1-2H,(H,11,12)(H,13,14)
InChIKeyOWXNTBZCZYNLHW-UHFFFAOYSA-N
XLogP3.14
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid (CID 21071147) is 4-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid is O=C(O)c1n[nH]c(-c2ccc(Cl)s2)c1Cl.
What is the InChIKey of 4-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid?
The InChIKey is OWXNTBZCZYNLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O2S/c9-4-2-1-3(15-4)6-5(10)7(8(13)14)12-11-6/h1-2H,(H,11,12)(H,13,14).
What are the key properties of 4-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid?
4-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid has a molecular weight of 263.11 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 21071147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).