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

C10H8F2N2O2 — CID 56945548

IUPAC5-[(3,5-difluorophenoxy)methyl]-1,2-dihydropyrazol-3-one
SMILESO=c1cc(COc2cc(F)cc(F)c2)[nH][nH]1
InChIInChI=1S/C10H8F2N2O2/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)
InChIKeyURMQKRJNQZRAGH-UHFFFAOYSA-N
MW226.18 g/mol
LogP1.56
Rot. Bonds3

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

5-[(3,5-difluorophenoxy)methyl]-1,2-dihydropyrazol-3-one (PubChem CID 56945548) has the molecular formula C10H8F2N2O2 and a molecular weight of 226.18 g/mol. Its IUPAC name is 5-[(3,5-difluorophenoxy)methyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[(3,5-difluorophenoxy)methyl]-1,2-dihydropyrazol-3-one
PubChem CID56945548
Molecular FormulaC10H8F2N2O2
Molecular Weight226.18 g/mol
Exact Mass226.06
IUPAC Name5-[(3,5-difluorophenoxy)methyl]-1,2-dihydropyrazol-3-one
SMILESO=c1cc(COc2cc(F)cc(F)c2)[nH][nH]1
InChIInChI=1S/C10H8F2N2O2/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)
InChIKeyURMQKRJNQZRAGH-UHFFFAOYSA-N
XLogP1.56
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluorophenoxyacetic acid hydrazide
CID 735834
2-Phenoxyacetohydrazide
CID 101390
2-(2-Fluorophenoxy)propanoic acid hydrazide
CID 3865677
5-((3,5-Dichlorophenoxy)methyl)-1,2-dihydro-3H-pyrazol-3-one
CID 45102767
5-[(4-Chlorophenoxy)methyl]-1,2-dihydropyrazol-3-one
CID 46196578
5-[(3-Ethylphenoxy)methyl]-1,2-dihydropyrazol-3-one
CID 56945438
5-[[3,5-Bis(trifluoromethyl)phenoxy]methyl]-1,2-dihydropyrazol-3-one
CID 56945440
5-[(3,5-Dibromophenoxy)methyl]-1,2-dihydropyrazol-3-one
CID 56945549
6-(Phenoxymethyl)-1,2-dihydropyridazine-3,4-dione
CID 71655604
2-(2-Fluorophenoxy)acetohydrazide
CID 1540410
5-[(4-Ethylphenoxy)methyl]-1,2-dihydropyrazol-3-one
CID 56945437
5-[(3-Bromophenoxy)methyl]-1,2-dihydropyrazol-3-one
CID 56945550

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenoxy)methyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[(3,5-difluorophenoxy)methyl]-1,2-dihydropyrazol-3-one (CID 56945548) is 5-[(3,5-difluorophenoxy)methyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[(3,5-difluorophenoxy)methyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[(3,5-difluorophenoxy)methyl]-1,2-dihydropyrazol-3-one is O=c1cc(COc2cc(F)cc(F)c2)[nH][nH]1.
What is the InChIKey of 5-[(3,5-difluorophenoxy)methyl]-1,2-dihydropyrazol-3-one?
The InChIKey is URMQKRJNQZRAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2/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-difluorophenoxy)methyl]-1,2-dihydropyrazol-3-one?
5-[(3,5-difluorophenoxy)methyl]-1,2-dihydropyrazol-3-one has a molecular weight of 226.18 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenoxy)methyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 56945548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).