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

C10H6Cl2N2O2 — CID 83395870

IUPAC3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2Cl)n[nH]1
InChIInChI=1S/C10H6Cl2N2O2/c11-6-3-1-2-5(9(6)12)7-4-8(10(15)16)14-13-7/h1-4H,(H,13,14)(H,15,16)
InChIKeyLGVWJAKMONOAGG-UHFFFAOYSA-N
MW257.08 g/mol
LogP3.08
Rot. Bonds2

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

3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 83395870) has the molecular formula C10H6Cl2N2O2 and a molecular weight of 257.08 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID83395870
Molecular FormulaC10H6Cl2N2O2
Molecular Weight257.08 g/mol
Exact Mass255.98
IUPAC Name3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2Cl)n[nH]1
InChIInChI=1S/C10H6Cl2N2O2/c11-6-3-1-2-5(9(6)12)7-4-8(10(15)16)14-13-7/h1-4H,(H,13,14)(H,15,16)
InChIKeyLGVWJAKMONOAGG-UHFFFAOYSA-N
XLogP3.08
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid (CID 83395870) is 3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2cccc(Cl)c2Cl)n[nH]1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is LGVWJAKMONOAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2/c11-6-3-1-2-5(9(6)12)7-4-8(10(15)16)14-13-7/h1-4H,(H,13,14)(H,15,16).
What are the key properties of 3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid?
3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 257.08 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 83395870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).