2-(2,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one

C12H12Cl2N2O2 — CID 134938574

IUPAC2-(2,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccc(Cl)cc2Cl)c(=O)c1CCO
InChIInChI=1S/C12H12Cl2N2O2/c1-7-9(4-5-17)12(18)16(15-7)11-3-2-8(13)6-10(11)14/h2-3,6,15,17H,4-5H2,1H3
InChIKeyIRBNFIWGVVUKSR-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.32
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one

2-(2,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one (PubChem CID 134938574) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
PubChem CID134938574
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name2-(2,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccc(Cl)cc2Cl)c(=O)c1CCO
InChIInChI=1S/C12H12Cl2N2O2/c1-7-9(4-5-17)12(18)16(15-7)11-3-2-8(13)6-10(11)14/h2-3,6,15,17H,4-5H2,1H3
InChIKeyIRBNFIWGVVUKSR-UHFFFAOYSA-N
XLogP2.32
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxyethyl)-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 2763690
methyl 2-[1-(3,5-dichlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]acetate
CID 1472419
1-(4'-Chlorophenyl)-4-formyl-5-hydroxy-3-methylpyrazole
CID 872869
2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
CID 1472949
1-(4-chlorophenyl)-4-(2-hydroxyethyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid
CID 45588612
1-(4-chlorophenyl)-3,4-dimethyl-1H-pyrazol-5-ol
CID 16490612
2-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one
CID 13884810
3-methyl-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-one
CID 139618917
2-(2-chlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
CID 117123331
2-(2,4-dichlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66020439
1-(4-Chlorophenyl)-4-ethyl-3-methylpyrazol-5-ol
CID 677128
5-methyl-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carbaldehyde
CID 903489

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one (CID 134938574) is 2-(2,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccc(Cl)cc2Cl)c(=O)c1CCO.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one?
The InChIKey is IRBNFIWGVVUKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-7-9(4-5-17)12(18)16(15-7)11-3-2-8(13)6-10(11)14/h2-3,6,15,17H,4-5H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one?
2-(2,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one has a molecular weight of 287.15 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 134938574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).