2-(3-chlorophenyl)-5-cyclopropyl-4H-pyrazol-3-one

C12H11ClN2O — CID 55220260

IUPAC2-(3-chlorophenyl)-5-cyclopropyl-4H-pyrazol-3-one
SMILESO=C1CC(C2CC2)=NN1c1cccc(Cl)c1
InChIInChI=1S/C12H11ClN2O/c13-9-2-1-3-10(6-9)15-12(16)7-11(14-15)8-4-5-8/h1-3,6,8H,4-5,7H2
InChIKeyUGYSZRFVNVNVBR-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.84
Rot. Bonds2

About 2-(3-chlorophenyl)-5-cyclopropyl-4H-pyrazol-3-one

2-(3-chlorophenyl)-5-cyclopropyl-4H-pyrazol-3-one (PubChem CID 55220260) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-cyclopropyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-cyclopropyl-4H-pyrazol-3-one
PubChem CID55220260
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-(3-chlorophenyl)-5-cyclopropyl-4H-pyrazol-3-one
SMILESO=C1CC(C2CC2)=NN1c1cccc(Cl)c1
InChIInChI=1S/C12H11ClN2O/c13-9-2-1-3-10(6-9)15-12(16)7-11(14-15)8-4-5-8/h1-3,6,8H,4-5,7H2
InChIKeyUGYSZRFVNVNVBR-UHFFFAOYSA-N
XLogP2.84
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-cyclopropyl-4H-pyrazol-3-one?
The IUPAC name of 2-(3-chlorophenyl)-5-cyclopropyl-4H-pyrazol-3-one (CID 55220260) is 2-(3-chlorophenyl)-5-cyclopropyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5-cyclopropyl-4H-pyrazol-3-one?
The canonical SMILES for 2-(3-chlorophenyl)-5-cyclopropyl-4H-pyrazol-3-one is O=C1CC(C2CC2)=NN1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-5-cyclopropyl-4H-pyrazol-3-one?
The InChIKey is UGYSZRFVNVNVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-9-2-1-3-10(6-9)15-12(16)7-11(14-15)8-4-5-8/h1-3,6,8H,4-5,7H2.
What are the key properties of 2-(3-chlorophenyl)-5-cyclopropyl-4H-pyrazol-3-one?
2-(3-chlorophenyl)-5-cyclopropyl-4H-pyrazol-3-one has a molecular weight of 234.69 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-cyclopropyl-4H-pyrazol-3-one is sourced from PubChem (CID 55220260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).