3-amino-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one

C15H17N3O — CID 3237697

IUPAC3-amino-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one
SMILESCC1(C)CC(=O)c2c(nn(-c3ccccc3)c2N)C1
InChIInChI=1S/C15H17N3O/c1-15(2)8-11-13(12(19)9-15)14(16)18(17-11)10-6-4-3-5-7-10/h3-7H,8-9,16H2,1-2H3
InChIKeyCANLWEDRRMMVHQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.61
Rot. Bonds1

About 3-amino-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one

3-amino-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one (PubChem CID 3237697) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-amino-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one.

Molecular Properties

Compound Name3-amino-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one
PubChem CID3237697
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-amino-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one
SMILESCC1(C)CC(=O)c2c(nn(-c3ccccc3)c2N)C1
InChIInChI=1S/C15H17N3O/c1-15(2)8-11-13(12(19)9-15)14(16)18(17-11)10-6-4-3-5-7-10/h3-7H,8-9,16H2,1-2H3
InChIKeyCANLWEDRRMMVHQ-UHFFFAOYSA-N
XLogP2.61
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one?
The IUPAC name of 3-amino-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one (CID 3237697) is 3-amino-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one.
What is the SMILES notation for 3-amino-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one?
The canonical SMILES for 3-amino-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one is CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2N)C1.
What is the InChIKey of 3-amino-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one?
The InChIKey is CANLWEDRRMMVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-15(2)8-11-13(12(19)9-15)14(16)18(17-11)10-6-4-3-5-7-10/h3-7H,8-9,16H2,1-2H3.
What are the key properties of 3-amino-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one?
3-amino-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one has a molecular weight of 255.32 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one is sourced from PubChem (CID 3237697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).