3-phenyl-3,4-dihydropyrazol-5-one

C9H8N2O — CID 22363954

IUPAC3-phenyl-3,4-dihydropyrazol-5-one
SMILESO=C1CC(c2ccccc2)N=N1
InChIInChI=1S/C9H8N2O/c12-9-6-8(10-11-9)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyXHSOSAFWCVEPDK-UHFFFAOYSA-N
MW160.18 g/mol
LogP2.11
Rot. Bonds1

About 3-phenyl-3,4-dihydropyrazol-5-one

3-phenyl-3,4-dihydropyrazol-5-one (PubChem CID 22363954) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 3-phenyl-3,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-phenyl-3,4-dihydropyrazol-5-one
PubChem CID22363954
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name3-phenyl-3,4-dihydropyrazol-5-one
SMILESO=C1CC(c2ccccc2)N=N1
InChIInChI=1S/C9H8N2O/c12-9-6-8(10-11-9)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyXHSOSAFWCVEPDK-UHFFFAOYSA-N
XLogP2.11
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3,4-dihydropyrazol-5-one?
The IUPAC name of 3-phenyl-3,4-dihydropyrazol-5-one (CID 22363954) is 3-phenyl-3,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-phenyl-3,4-dihydropyrazol-5-one?
The canonical SMILES for 3-phenyl-3,4-dihydropyrazol-5-one is O=C1CC(c2ccccc2)N=N1.
What is the InChIKey of 3-phenyl-3,4-dihydropyrazol-5-one?
The InChIKey is XHSOSAFWCVEPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-9-6-8(10-11-9)7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of 3-phenyl-3,4-dihydropyrazol-5-one?
3-phenyl-3,4-dihydropyrazol-5-one has a molecular weight of 160.18 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3,4-dihydropyrazol-5-one is sourced from PubChem (CID 22363954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).