5-cyclopropyl-2-(3-fluorophenyl)-1H-pyrazol-3-one

C12H11FN2O — CID 66021502

IUPAC5-cyclopropyl-2-(3-fluorophenyl)-1H-pyrazol-3-one
SMILESO=c1cc(C2CC2)[nH]n1-c1cccc(F)c1
InChIInChI=1S/C12H11FN2O/c13-9-2-1-3-10(6-9)15-12(16)7-11(14-15)8-4-5-8/h1-3,6-8,14H,4-5H2
InChIKeyIKDOSHCCILXVRO-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.18
Rot. Bonds2

About 5-cyclopropyl-2-(3-fluorophenyl)-1H-pyrazol-3-one

5-cyclopropyl-2-(3-fluorophenyl)-1H-pyrazol-3-one (PubChem CID 66021502) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 5-cyclopropyl-2-(3-fluorophenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2-(3-fluorophenyl)-1H-pyrazol-3-one
PubChem CID66021502
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name5-cyclopropyl-2-(3-fluorophenyl)-1H-pyrazol-3-one
SMILESO=c1cc(C2CC2)[nH]n1-c1cccc(F)c1
InChIInChI=1S/C12H11FN2O/c13-9-2-1-3-10(6-9)15-12(16)7-11(14-15)8-4-5-8/h1-3,6-8,14H,4-5H2
InChIKeyIKDOSHCCILXVRO-UHFFFAOYSA-N
XLogP2.18
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(3-fluorophenyl)-1H-pyrazol-3-one?
The IUPAC name of 5-cyclopropyl-2-(3-fluorophenyl)-1H-pyrazol-3-one (CID 66021502) is 5-cyclopropyl-2-(3-fluorophenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-cyclopropyl-2-(3-fluorophenyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-cyclopropyl-2-(3-fluorophenyl)-1H-pyrazol-3-one is O=c1cc(C2CC2)[nH]n1-c1cccc(F)c1.
What is the InChIKey of 5-cyclopropyl-2-(3-fluorophenyl)-1H-pyrazol-3-one?
The InChIKey is IKDOSHCCILXVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-9-2-1-3-10(6-9)15-12(16)7-11(14-15)8-4-5-8/h1-3,6-8,14H,4-5H2.
What are the key properties of 5-cyclopropyl-2-(3-fluorophenyl)-1H-pyrazol-3-one?
5-cyclopropyl-2-(3-fluorophenyl)-1H-pyrazol-3-one has a molecular weight of 218.23 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(3-fluorophenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 66021502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).