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

C8H4Cl2N2O2S — CID 3992518

IUPAC3-(2,5-dichlorothiophen-3-yl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Cl)sc2Cl)n[nH]1
InChIInChI=1S/C8H4Cl2N2O2S/c9-6-1-3(7(10)15-6)4-2-5(8(13)14)12-11-4/h1-2H,(H,11,12)(H,13,14)
InChIKeyULUDLMFPHDPCKL-UHFFFAOYSA-N
MW263.11 g/mol
LogP3.14
Rot. Bonds2

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

3-(2,5-dichlorothiophen-3-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 3992518) has the molecular formula C8H4Cl2N2O2S and a molecular weight of 263.11 g/mol. Its IUPAC name is 3-(2,5-dichlorothiophen-3-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dichlorothiophen-3-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID3992518
Molecular FormulaC8H4Cl2N2O2S
Molecular Weight263.11 g/mol
Exact Mass261.94
IUPAC Name3-(2,5-dichlorothiophen-3-yl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Cl)sc2Cl)n[nH]1
InChIInChI=1S/C8H4Cl2N2O2S/c9-6-1-3(7(10)15-6)4-2-5(8(13)14)12-11-4/h1-2H,(H,11,12)(H,13,14)
InChIKeyULUDLMFPHDPCKL-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 3-(2,5-dichlorothiophen-3-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2,5-dichlorothiophen-3-yl)-1H-pyrazole-5-carboxylic acid (CID 3992518) is 3-(2,5-dichlorothiophen-3-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,5-dichlorothiophen-3-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2,5-dichlorothiophen-3-yl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2cc(Cl)sc2Cl)n[nH]1.
What is the InChIKey of 3-(2,5-dichlorothiophen-3-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is ULUDLMFPHDPCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O2S/c9-6-1-3(7(10)15-6)4-2-5(8(13)14)12-11-4/h1-2H,(H,11,12)(H,13,14).
What are the key properties of 3-(2,5-dichlorothiophen-3-yl)-1H-pyrazole-5-carboxylic acid?
3-(2,5-dichlorothiophen-3-yl)-1H-pyrazole-5-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 3-(2,5-dichlorothiophen-3-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 3992518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).