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

C10H8Cl2N2O2 — CID 45102767

IUPAC5-[(3,5-dichlorophenoxy)methyl]-1,2-dihydropyrazol-3-one
SMILESO=c1cc(COc2cc(Cl)cc(Cl)c2)[nH][nH]1
InChIInChI=1S/C10H8Cl2N2O2/c11-6-1-7(12)3-9(2-6)16-5-8-4-10(15)14-13-8/h1-4H,5H2,(H2,13,14,15)
InChIKeyHTSQRRQNKJNSLH-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.59
Rot. Bonds3

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

5-[(3,5-dichlorophenoxy)methyl]-1,2-dihydropyrazol-3-one (PubChem CID 45102767) has the molecular formula C10H8Cl2N2O2 and a molecular weight of 259.09 g/mol. Its IUPAC name is 5-[(3,5-dichlorophenoxy)methyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[(3,5-dichlorophenoxy)methyl]-1,2-dihydropyrazol-3-one
PubChem CID45102767
Molecular FormulaC10H8Cl2N2O2
Molecular Weight259.09 g/mol
Exact Mass258.00
IUPAC Name5-[(3,5-dichlorophenoxy)methyl]-1,2-dihydropyrazol-3-one
SMILESO=c1cc(COc2cc(Cl)cc(Cl)c2)[nH][nH]1
InChIInChI=1S/C10H8Cl2N2O2/c11-6-1-7(12)3-9(2-6)16-5-8-4-10(15)14-13-8/h1-4H,5H2,(H2,13,14,15)
InChIKeyHTSQRRQNKJNSLH-UHFFFAOYSA-N
XLogP2.59
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-Chlorophenoxy)propanehydrazide
CID 2832641
5-[(4-Chlorophenoxy)methyl]-1,2-dihydropyrazol-3-one
CID 46196578
5-[(3,5-dichlorophenoxy)methyl]-2-methyl-1H-pyrazol-3-one
CID 58453301
2-acetyl-5-[(3,5-dichlorophenoxy)methyl]-1H-pyrazol-3-one
CID 71455142
5-[(3,5-dichlorophenoxy)methyl]-2-(3-hydroxypropyl)-1H-pyrazol-3-one
CID 71456938
5-[(3,5-dichlorophenoxy)methyl]-3-oxo-1H-pyrazole-2-carbaldehyde
CID 71458808
3-[5-[(3,5-dichlorophenoxy)methyl]-3-oxo-1H-pyrazol-2-yl]-3-oxopropanenitrile
CID 71458809
5-[(3,5-Difluorophenoxy)methyl]-1,2-dihydropyrazol-3-one
CID 56945548
5-[(3,5-Dichlorophenoxy)methyl]-1,2-dimethylpyrazol-3-one
CID 58453354
5-[(3,5-dichlorophenoxy)methyl]-2-(2-hydroxyethyl)-1H-pyrazol-3-one
CID 71456937
2-(3-Chlorophenoxy)acetohydrazide
CID 1540407
2-(3-Chloro-4-fluorophenoxy)acetohydrazide
CID 17255525

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichlorophenoxy)methyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[(3,5-dichlorophenoxy)methyl]-1,2-dihydropyrazol-3-one (CID 45102767) is 5-[(3,5-dichlorophenoxy)methyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[(3,5-dichlorophenoxy)methyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[(3,5-dichlorophenoxy)methyl]-1,2-dihydropyrazol-3-one is O=c1cc(COc2cc(Cl)cc(Cl)c2)[nH][nH]1.
What is the InChIKey of 5-[(3,5-dichlorophenoxy)methyl]-1,2-dihydropyrazol-3-one?
The InChIKey is HTSQRRQNKJNSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2/c11-6-1-7(12)3-9(2-6)16-5-8-4-10(15)14-13-8/h1-4H,5H2,(H2,13,14,15).
What are the key properties of 5-[(3,5-dichlorophenoxy)methyl]-1,2-dihydropyrazol-3-one?
5-[(3,5-dichlorophenoxy)methyl]-1,2-dihydropyrazol-3-one has a molecular weight of 259.09 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichlorophenoxy)methyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 45102767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).