5-(1-fluorocyclopropyl)-2-methyl-4H-pyrazol-3-one

C7H9FN2O — CID 118869804

IUPAC5-(1-fluorocyclopropyl)-2-methyl-4H-pyrazol-3-one
SMILESCN1N=C(C2(F)CC2)CC1=O
InChIInChI=1S/C7H9FN2O/c1-10-6(11)4-5(9-10)7(8)2-3-7/h2-4H2,1H3
InChIKeyZEUMAEIRDPKOOE-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.71
Rot. Bonds1

About 5-(1-fluorocyclopropyl)-2-methyl-4H-pyrazol-3-one

5-(1-fluorocyclopropyl)-2-methyl-4H-pyrazol-3-one (PubChem CID 118869804) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 5-(1-fluorocyclopropyl)-2-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-(1-fluorocyclopropyl)-2-methyl-4H-pyrazol-3-one
PubChem CID118869804
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name5-(1-fluorocyclopropyl)-2-methyl-4H-pyrazol-3-one
SMILESCN1N=C(C2(F)CC2)CC1=O
InChIInChI=1S/C7H9FN2O/c1-10-6(11)4-5(9-10)7(8)2-3-7/h2-4H2,1H3
InChIKeyZEUMAEIRDPKOOE-UHFFFAOYSA-N
XLogP0.71
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluorocyclopropyl)-2-methyl-4H-pyrazol-3-one?
The IUPAC name of 5-(1-fluorocyclopropyl)-2-methyl-4H-pyrazol-3-one (CID 118869804) is 5-(1-fluorocyclopropyl)-2-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-(1-fluorocyclopropyl)-2-methyl-4H-pyrazol-3-one?
The canonical SMILES for 5-(1-fluorocyclopropyl)-2-methyl-4H-pyrazol-3-one is CN1N=C(C2(F)CC2)CC1=O.
What is the InChIKey of 5-(1-fluorocyclopropyl)-2-methyl-4H-pyrazol-3-one?
The InChIKey is ZEUMAEIRDPKOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-10-6(11)4-5(9-10)7(8)2-3-7/h2-4H2,1H3.
What are the key properties of 5-(1-fluorocyclopropyl)-2-methyl-4H-pyrazol-3-one?
5-(1-fluorocyclopropyl)-2-methyl-4H-pyrazol-3-one has a molecular weight of 156.16 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluorocyclopropyl)-2-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 118869804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).