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

C14H14N2O — CID 4738558

IUPAC1-benzyl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C14H14N2O/c17-14-8-4-7-13-12(14)9-15-16(13)10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2
InChIKeyKZRACVAICNSDTK-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.45
Rot. Bonds2

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

1-benzyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 4738558) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-benzyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-benzyl-6,7-dihydro-5H-indazol-4-one
PubChem CID4738558
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-benzyl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C14H14N2O/c17-14-8-4-7-13-12(14)9-15-16(13)10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2
InChIKeyKZRACVAICNSDTK-UHFFFAOYSA-N
XLogP2.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
CID 2063316
2-Benzyl-2H-indazole-7-carboxamide
CID 44549372
(1,3-dimethyl-1H-pyrazol-4-yl)(phenyl)methanone
CID 673348
1-benzyl-3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde
CID 2446579
1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one
CID 80207
1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 4738557
1-[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]indoline
CID 1225706
3-Pyridin-3-yl-1,5,6,7-tetrahydroindazol-4-one
CID 3237304
2-phenyl-3-pyridin-4-yl-6,7-dihydro-5H-indazol-4-one
CID 3241417
3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one
CID 5794107
3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one
CID 6018480
1-Methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 2765796

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-benzyl-6,7-dihydro-5H-indazol-4-one (CID 4738558) is 1-benzyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-benzyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-benzyl-6,7-dihydro-5H-indazol-4-one is O=C1CCCc2c1cnn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is KZRACVAICNSDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14-8-4-7-13-12(14)9-15-16(13)10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2.
What are the key properties of 1-benzyl-6,7-dihydro-5H-indazol-4-one?
1-benzyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 226.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 4738558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).