6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one

C15H16N2O — CID 3466503

IUPAC6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one
SMILESCC1(C)CC(=O)c2c(-c3ccccc3)n[nH]c2C1
InChIInChI=1S/C15H16N2O/c1-15(2)8-11-13(12(18)9-15)14(17-16-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,16,17)
InChIKeyJTXCNILJAGVMNA-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.23
Rot. Bonds1

About 6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one

6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one (PubChem CID 3466503) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one
PubChem CID3466503
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one
SMILESCC1(C)CC(=O)c2c(-c3ccccc3)n[nH]c2C1
InChIInChI=1S/C15H16N2O/c1-15(2)8-11-13(12(18)9-15)14(17-16-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,16,17)
InChIKeyJTXCNILJAGVMNA-UHFFFAOYSA-N
XLogP3.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one?
The IUPAC name of 6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one (CID 3466503) is 6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one.
What is the SMILES notation for 6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one?
The canonical SMILES for 6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one is CC1(C)CC(=O)c2c(-c3ccccc3)n[nH]c2C1.
What is the InChIKey of 6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one?
The InChIKey is JTXCNILJAGVMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-15(2)8-11-13(12(18)9-15)14(17-16-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,16,17).
What are the key properties of 6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one?
6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one has a molecular weight of 240.31 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one is sourced from PubChem (CID 3466503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).