5-chloro-2-phenyl-4H-pyrazol-3-one

C9H7ClN2O — CID 18922596

IUPAC5-chloro-2-phenyl-4H-pyrazol-3-one
SMILESO=C1CC(Cl)=NN1c1ccccc1
InChIInChI=1S/C9H7ClN2O/c10-8-6-9(13)12(11-8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyRAMSDKLTZKMGDW-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.98
Rot. Bonds1

About 5-chloro-2-phenyl-4H-pyrazol-3-one

5-chloro-2-phenyl-4H-pyrazol-3-one (PubChem CID 18922596) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 5-chloro-2-phenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-chloro-2-phenyl-4H-pyrazol-3-one
PubChem CID18922596
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name5-chloro-2-phenyl-4H-pyrazol-3-one
SMILESO=C1CC(Cl)=NN1c1ccccc1
InChIInChI=1S/C9H7ClN2O/c10-8-6-9(13)12(11-8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyRAMSDKLTZKMGDW-UHFFFAOYSA-N
XLogP1.98
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-phenyl-4H-pyrazol-3-one?
The IUPAC name of 5-chloro-2-phenyl-4H-pyrazol-3-one (CID 18922596) is 5-chloro-2-phenyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-chloro-2-phenyl-4H-pyrazol-3-one?
The canonical SMILES for 5-chloro-2-phenyl-4H-pyrazol-3-one is O=C1CC(Cl)=NN1c1ccccc1.
What is the InChIKey of 5-chloro-2-phenyl-4H-pyrazol-3-one?
The InChIKey is RAMSDKLTZKMGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c10-8-6-9(13)12(11-8)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 5-chloro-2-phenyl-4H-pyrazol-3-one?
5-chloro-2-phenyl-4H-pyrazol-3-one has a molecular weight of 194.62 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-phenyl-4H-pyrazol-3-one is sourced from PubChem (CID 18922596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).