(7R)-7-azido-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one

C15H15N5O — CID 40522898

IUPAC(7R)-7-azido-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one
SMILESCC1(C)CC(=O)c2cnn(-c3ccccc3)c2[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C15H15N5O/c1-15(2)8-12(21)11-9-17-20(10-6-4-3-5-7-10)13(11)14(15)18-19-16/h3-7,9,14H,8H2,1-2H3/t14-/m0/s1
InChIKeyWNHSITTXHWQJCQ-AWEZNQCLSA-N
MW281.32 g/mol
LogP3.84
Rot. Bonds2

About (7R)-7-azido-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one

(7R)-7-azido-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one (PubChem CID 40522898) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is (7R)-7-azido-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one.

Molecular Properties

Compound Name(7R)-7-azido-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one
PubChem CID40522898
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name(7R)-7-azido-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one
SMILESCC1(C)CC(=O)c2cnn(-c3ccccc3)c2[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C15H15N5O/c1-15(2)8-12(21)11-9-17-20(10-6-4-3-5-7-10)13(11)14(15)18-19-16/h3-7,9,14H,8H2,1-2H3/t14-/m0/s1
InChIKeyWNHSITTXHWQJCQ-AWEZNQCLSA-N
XLogP3.84
TPSA83.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(6,6-dimethyl-4-oxo-1-phenyl-5,7-dihydroindazol-7-yl)benzamide
CID 155979739
7-bromo-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one
CID 5121882
(4Z)-6,6-dimethyl-N-[(4-nitrophenyl)methyl]-1-phenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-7-amine
CID 155979704
1-methyl-2,2-dioxo-7-phenylpyrazolo[5,4-c]thiazin-4-one
CID 10612565
6',6'-dimethyl-1'-phenylspiro[3a,6a-dihydrofuro[3,4-c]pyrazole-3,5'-7H-indazole]-4,4',6-trione
CID 155979779
4-(6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzonitrile
CID 65356247
5-(4-bromo-2-methylanilino)-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one
CID 155979930
1-phenylindazole-4,7-dione
CID 102097080
20,20-dimethyl-17-phenyl-11,12,16,17-tetrazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1,4,6,8,10,12,14(18),15-octaen-3-one
CID 6406946
3-(2,2-dimethyl-4-oxo-1,3-dihydronaphthalen-1-yl)imidazole-4-carboxylic acid
CID 19794109
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-cyclopropyl-1-phenylpyrazol-4-yl)methanone
CID 120806575
(3bS,8bR)-3,8-diphenyl-3b,4,5,8b,9,10-hexahydroindazolo[7,6-g]indazole
CID 90673957

Frequently Asked Questions

What is the IUPAC name of (7R)-7-azido-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one?
The IUPAC name of (7R)-7-azido-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one (CID 40522898) is (7R)-7-azido-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one.
What is the SMILES notation for (7R)-7-azido-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one?
The canonical SMILES for (7R)-7-azido-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one is CC1(C)CC(=O)c2cnn(-c3ccccc3)c2[C@@H]1N=[N+]=[N-].
What is the InChIKey of (7R)-7-azido-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one?
The InChIKey is WNHSITTXHWQJCQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15N5O/c1-15(2)8-12(21)11-9-17-20(10-6-4-3-5-7-10)13(11)14(15)18-19-16/h3-7,9,14H,8H2,1-2H3/t14-/m0/s1.
What are the key properties of (7R)-7-azido-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one?
(7R)-7-azido-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one has a molecular weight of 281.32 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-azido-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one is sourced from PubChem (CID 40522898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).