2-(2-chlorophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carbaldehyde

C10H7ClN2O3 — CID 137000036

IUPAC2-(2-chlorophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1c(O)n(-c2ccccc2Cl)[nH]c1=O
InChIInChI=1S/C10H7ClN2O3/c11-7-3-1-2-4-8(7)13-10(16)6(5-14)9(15)12-13/h1-5,16H,(H,12,15)
InChIKeyCMZDOCCGWLWKNJ-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.34
Rot. Bonds2

About 2-(2-chlorophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carbaldehyde

2-(2-chlorophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carbaldehyde (PubChem CID 137000036) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carbaldehyde
PubChem CID137000036
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Name2-(2-chlorophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1c(O)n(-c2ccccc2Cl)[nH]c1=O
InChIInChI=1S/C10H7ClN2O3/c11-7-3-1-2-4-8(7)13-10(16)6(5-14)9(15)12-13/h1-5,16H,(H,12,15)
InChIKeyCMZDOCCGWLWKNJ-UHFFFAOYSA-N
XLogP1.34
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-3-hydroxy-4-(2-hydroxyethyl)-1H-pyrazol-5-one
CID 117123068
3-hydroxy-2-[4-(hydroxymethyl)phenyl]-5-oxo-1H-pyrazole-4-carbaldehyde
CID 136613505
(2E)-2-[(4Z)-1-(2-chlorophenyl)-4-[(2,6-difluorophenyl)methylidene]-5-oxopyrazolidin-3-ylidene]acetaldehyde
CID 129207724
2-(4-chlorophenyl)-3-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1H-pyrazol-5-one
CID 4159377
5-amino-2-(2-chlorophenyl)-1H-pyrazol-3-one
CID 54273790
1-(2-chlorophenyl)-4-ethyl-2,5-dimethylpyrrole-3-carbaldehyde
CID 30030170
2-chloro-6-(3,5-dioxopiperazin-1-yl)benzaldehyde
CID 66083550
2-(2-chlorophenyl)-1-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
CID 90995265
5-chloro-1-(2-chlorophenyl)-4-formylpyrazole-3-carboxylic acid
CID 21113079
2-(2-chlorophenyl)-5-ethyl-1H-pyrazol-3-one
CID 66021073
4-(3-aminopropyl)-2-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-one
CID 117123339
4-(3-aminopropyl)-2-(2-fluorophenyl)-3-hydroxy-1H-pyrazol-5-one
CID 117123073

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 2-(2-chlorophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carbaldehyde (CID 137000036) is 2-(2-chlorophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 2-(2-chlorophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 2-(2-chlorophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carbaldehyde is O=Cc1c(O)n(-c2ccccc2Cl)[nH]c1=O.
What is the InChIKey of 2-(2-chlorophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carbaldehyde?
The InChIKey is CMZDOCCGWLWKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c11-7-3-1-2-4-8(7)13-10(16)6(5-14)9(15)12-13/h1-5,16H,(H,12,15).
What are the key properties of 2-(2-chlorophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carbaldehyde?
2-(2-chlorophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carbaldehyde has a molecular weight of 238.63 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 137000036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).