3-[(2,4-dichlorophenoxy)methyl]-1,4-dihydropyrazol-5-one

C10H8Cl2N2O2 — CID 131870768

IUPAC3-[(2,4-dichlorophenoxy)methyl]-1,4-dihydropyrazol-5-one
SMILESO=C1CC(COc2ccc(Cl)cc2Cl)=NN1
InChIInChI=1S/C10H8Cl2N2O2/c11-6-1-2-9(8(12)3-6)16-5-7-4-10(15)14-13-7/h1-3H,4-5H2,(H,14,15)
InChIKeyCNNIIFPUSCCXEP-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.25
Rot. Bonds3

About 3-[(2,4-dichlorophenoxy)methyl]-1,4-dihydropyrazol-5-one

3-[(2,4-dichlorophenoxy)methyl]-1,4-dihydropyrazol-5-one (PubChem CID 131870768) has the molecular formula C10H8Cl2N2O2 and a molecular weight of 259.09 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenoxy)methyl]-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-[(2,4-dichlorophenoxy)methyl]-1,4-dihydropyrazol-5-one
PubChem CID131870768
Molecular FormulaC10H8Cl2N2O2
Molecular Weight259.09 g/mol
Exact Mass258.00
IUPAC Name3-[(2,4-dichlorophenoxy)methyl]-1,4-dihydropyrazol-5-one
SMILESO=C1CC(COc2ccc(Cl)cc2Cl)=NN1
InChIInChI=1S/C10H8Cl2N2O2/c11-6-1-2-9(8(12)3-6)16-5-7-4-10(15)14-13-7/h1-3H,4-5H2,(H,14,15)
InChIKeyCNNIIFPUSCCXEP-UHFFFAOYSA-N
XLogP2.25
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetaldehyde
CID 59827332
3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
CID 115580492
8-[(2,4-dichlorophenoxy)methyl]-3,7-dimethylpurine-2,6-dione
CID 47073068
3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one
CID 4778793
disodium bis(2-(2,4-dichlorophenoxy)acetate)
CID 66727836
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
5-chloro-6-[(2,4-dichlorophenoxy)methyl]pyridin-2-amine
CID 62887044
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
deuterio 2-(2,4-dichlorophenoxy)acetate
CID 138395985
2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82240126
4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63884780
3,5-bis[(2,4-dichlorophenoxy)methyl]-1,2,4-oxadiazole
CID 2739092

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenoxy)methyl]-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-[(2,4-dichlorophenoxy)methyl]-1,4-dihydropyrazol-5-one (CID 131870768) is 3-[(2,4-dichlorophenoxy)methyl]-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-[(2,4-dichlorophenoxy)methyl]-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-[(2,4-dichlorophenoxy)methyl]-1,4-dihydropyrazol-5-one is O=C1CC(COc2ccc(Cl)cc2Cl)=NN1.
What is the InChIKey of 3-[(2,4-dichlorophenoxy)methyl]-1,4-dihydropyrazol-5-one?
The InChIKey is CNNIIFPUSCCXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2/c11-6-1-2-9(8(12)3-6)16-5-7-4-10(15)14-13-7/h1-3H,4-5H2,(H,14,15).
What are the key properties of 3-[(2,4-dichlorophenoxy)methyl]-1,4-dihydropyrazol-5-one?
3-[(2,4-dichlorophenoxy)methyl]-1,4-dihydropyrazol-5-one has a molecular weight of 259.09 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenoxy)methyl]-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 131870768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).