2-(2,5-dichlorophenyl)-5-oxo-1H-pyrazole-4-carboxylic acid

C10H6Cl2N2O3 — CID 84818319

IUPAC2-(2,5-dichlorophenyl)-5-oxo-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2cc(Cl)ccc2Cl)[nH]c1=O
InChIInChI=1S/C10H6Cl2N2O3/c11-5-1-2-7(12)8(3-5)14-4-6(10(16)17)9(15)13-14/h1-4H,(H,13,15)(H,16,17)
InChIKeyDPBNRFBRYZSEKF-UHFFFAOYSA-N
MW273.07 g/mol
LogP2.17
Rot. Bonds2

About 2-(2,5-dichlorophenyl)-5-oxo-1H-pyrazole-4-carboxylic acid

2-(2,5-dichlorophenyl)-5-oxo-1H-pyrazole-4-carboxylic acid (PubChem CID 84818319) has the molecular formula C10H6Cl2N2O3 and a molecular weight of 273.07 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-5-oxo-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-5-oxo-1H-pyrazole-4-carboxylic acid
PubChem CID84818319
Molecular FormulaC10H6Cl2N2O3
Molecular Weight273.07 g/mol
Exact Mass271.98
IUPAC Name2-(2,5-dichlorophenyl)-5-oxo-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2cc(Cl)ccc2Cl)[nH]c1=O
InChIInChI=1S/C10H6Cl2N2O3/c11-5-1-2-7(12)8(3-5)14-4-6(10(16)17)9(15)13-14/h1-4H,(H,13,15)(H,16,17)
InChIKeyDPBNRFBRYZSEKF-UHFFFAOYSA-N
XLogP2.17
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.07
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(2,5-dioxopyrrol-1-yl)benzoic acid
CID 16793118
potassium;3-(2,5-dichlorophenyl)-2,6-dioxopyrimidine-4,5-dicarboxylic acid;hydride
CID 173429271
1-(3-chloro-4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxylic acid
CID 79876268
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
N-[2-(2,5-dichlorophenyl)-3-oxo-1H-pyrazol-5-yl]prop-2-enamide
CID 45108249
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
bismuth tris(2-carboxy-4-chlorophenolate)
CID 54734267
4-(2,5-dichlorophenyl)piperazine-2,6-dione
CID 63787851
2-(azetidin-1-yl)-5-chlorobenzoic acid
CID 127018592
5-chloro-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)benzoic acid
CID 79875265
4-chloro-2-(2-formylpyrrol-1-yl)benzoic acid
CID 11425210
4-chloro-2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)benzoic acid
CID 103979230

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-5-oxo-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 2-(2,5-dichlorophenyl)-5-oxo-1H-pyrazole-4-carboxylic acid (CID 84818319) is 2-(2,5-dichlorophenyl)-5-oxo-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-5-oxo-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 2-(2,5-dichlorophenyl)-5-oxo-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn(-c2cc(Cl)ccc2Cl)[nH]c1=O.
What is the InChIKey of 2-(2,5-dichlorophenyl)-5-oxo-1H-pyrazole-4-carboxylic acid?
The InChIKey is DPBNRFBRYZSEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O3/c11-5-1-2-7(12)8(3-5)14-4-6(10(16)17)9(15)13-14/h1-4H,(H,13,15)(H,16,17).
What are the key properties of 2-(2,5-dichlorophenyl)-5-oxo-1H-pyrazole-4-carboxylic acid?
2-(2,5-dichlorophenyl)-5-oxo-1H-pyrazole-4-carboxylic acid has a molecular weight of 273.07 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-5-oxo-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 84818319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).