4-(2-fluorophenoxy)-5-methyl-1,2-dihydropyrazol-3-one

C10H9FN2O2 — CID 118430654

IUPAC4-(2-fluorophenoxy)-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1Oc1ccccc1F
InChIInChI=1S/C10H9FN2O2/c1-6-9(10(14)13-12-6)15-8-5-3-2-4-7(8)11/h2-5H,1H3,(H2,12,13,14)
InChIKeySVYZDMZPIQJSTC-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.94
Rot. Bonds2

About 4-(2-fluorophenoxy)-5-methyl-1,2-dihydropyrazol-3-one

4-(2-fluorophenoxy)-5-methyl-1,2-dihydropyrazol-3-one (PubChem CID 118430654) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-5-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-5-methyl-1,2-dihydropyrazol-3-one
PubChem CID118430654
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name4-(2-fluorophenoxy)-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1Oc1ccccc1F
InChIInChI=1S/C10H9FN2O2/c1-6-9(10(14)13-12-6)15-8-5-3-2-4-7(8)11/h2-5H,1H3,(H2,12,13,14)
InChIKeySVYZDMZPIQJSTC-UHFFFAOYSA-N
XLogP1.94
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-5-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-(2-fluorophenoxy)-5-methyl-1,2-dihydropyrazol-3-one (CID 118430654) is 4-(2-fluorophenoxy)-5-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-(2-fluorophenoxy)-5-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-(2-fluorophenoxy)-5-methyl-1,2-dihydropyrazol-3-one is Cc1[nH][nH]c(=O)c1Oc1ccccc1F.
What is the InChIKey of 4-(2-fluorophenoxy)-5-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is SVYZDMZPIQJSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-6-9(10(14)13-12-6)15-8-5-3-2-4-7(8)11/h2-5H,1H3,(H2,12,13,14).
What are the key properties of 4-(2-fluorophenoxy)-5-methyl-1,2-dihydropyrazol-3-one?
4-(2-fluorophenoxy)-5-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 208.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-5-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 118430654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).