2-(4-methylphenyl)-5,6-dihydro-4H-indazol-7-one

C14H14N2O — CID 83892558

IUPAC2-(4-methylphenyl)-5,6-dihydro-4H-indazol-7-one
SMILESCc1ccc(-n2cc3c(n2)C(=O)CCC3)cc1
InChIInChI=1S/C14H14N2O/c1-10-5-7-12(8-6-10)16-9-11-3-2-4-13(17)14(11)15-16/h5-9H,2-4H2,1H3
InChIKeyWQEZSVWPQLNZTD-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.70
Rot. Bonds1

About 2-(4-methylphenyl)-5,6-dihydro-4H-indazol-7-one

2-(4-methylphenyl)-5,6-dihydro-4H-indazol-7-one (PubChem CID 83892558) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5,6-dihydro-4H-indazol-7-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-5,6-dihydro-4H-indazol-7-one
PubChem CID83892558
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-(4-methylphenyl)-5,6-dihydro-4H-indazol-7-one
SMILESCc1ccc(-n2cc3c(n2)C(=O)CCC3)cc1
InChIInChI=1S/C14H14N2O/c1-10-5-7-12(8-6-10)16-9-11-3-2-4-13(17)14(11)15-16/h5-9H,2-4H2,1H3
InChIKeyWQEZSVWPQLNZTD-UHFFFAOYSA-N
XLogP2.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5,6-dihydro-4H-indazol-7-one?
The IUPAC name of 2-(4-methylphenyl)-5,6-dihydro-4H-indazol-7-one (CID 83892558) is 2-(4-methylphenyl)-5,6-dihydro-4H-indazol-7-one.
What is the SMILES notation for 2-(4-methylphenyl)-5,6-dihydro-4H-indazol-7-one?
The canonical SMILES for 2-(4-methylphenyl)-5,6-dihydro-4H-indazol-7-one is Cc1ccc(-n2cc3c(n2)C(=O)CCC3)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5,6-dihydro-4H-indazol-7-one?
The InChIKey is WQEZSVWPQLNZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10-5-7-12(8-6-10)16-9-11-3-2-4-13(17)14(11)15-16/h5-9H,2-4H2,1H3.
What are the key properties of 2-(4-methylphenyl)-5,6-dihydro-4H-indazol-7-one?
2-(4-methylphenyl)-5,6-dihydro-4H-indazol-7-one has a molecular weight of 226.28 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5,6-dihydro-4H-indazol-7-one is sourced from PubChem (CID 83892558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).