1-phenyl-6,7-dihydro-5H-indazol-4-one

C13H12N2O — CID 4738557

IUPAC1-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2c1cnn2-c1ccccc1
InChIInChI=1S/C13H12N2O/c16-13-8-4-7-12-11(13)9-14-15(12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
InChIKeyPSXCLWPFIRHOJO-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.39
Rot. Bonds1

About 1-phenyl-6,7-dihydro-5H-indazol-4-one

1-phenyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 4738557) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-phenyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-phenyl-6,7-dihydro-5H-indazol-4-one
PubChem CID4738557
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name1-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2c1cnn2-c1ccccc1
InChIInChI=1S/C13H12N2O/c16-13-8-4-7-12-11(13)9-14-15(12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
InChIKeyPSXCLWPFIRHOJO-UHFFFAOYSA-N
XLogP2.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-phenyl-6,7-dihydro-5H-indazol-4-one (CID 4738557) is 1-phenyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-phenyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-phenyl-6,7-dihydro-5H-indazol-4-one is O=C1CCCc2c1cnn2-c1ccccc1.
What is the InChIKey of 1-phenyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is PSXCLWPFIRHOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-13-8-4-7-12-11(13)9-14-15(12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2.
What are the key properties of 1-phenyl-6,7-dihydro-5H-indazol-4-one?
1-phenyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 212.25 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 4738557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).