N-(6,6-dimethyl-4-oxo-1-phenyl-5,7-dihydroindazol-7-yl)benzamide

C22H21N3O2 — CID 155979739

IUPACN-(6,6-dimethyl-4-oxo-1-phenyl-5,7-dihydroindazol-7-yl)benzamide
SMILESCC1(C)CC(=O)c2cnn(-c3ccccc3)c2C1NC(=O)c1ccccc1
InChIInChI=1S/C22H21N3O2/c1-22(2)13-18(26)17-14-23-25(16-11-7-4-8-12-16)19(17)20(22)24-21(27)15-9-5-3-6-10-15/h3-12,14,20H,13H2,1-2H3,(H,24,27)
InChIKeySQFHUUCEFDBBNZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.96
Rot. Bonds3

About N-(6,6-dimethyl-4-oxo-1-phenyl-5,7-dihydroindazol-7-yl)benzamide

N-(6,6-dimethyl-4-oxo-1-phenyl-5,7-dihydroindazol-7-yl)benzamide (PubChem CID 155979739) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(6,6-dimethyl-4-oxo-1-phenyl-5,7-dihydroindazol-7-yl)benzamide.

Molecular Properties

Compound NameN-(6,6-dimethyl-4-oxo-1-phenyl-5,7-dihydroindazol-7-yl)benzamide
PubChem CID155979739
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(6,6-dimethyl-4-oxo-1-phenyl-5,7-dihydroindazol-7-yl)benzamide
SMILESCC1(C)CC(=O)c2cnn(-c3ccccc3)c2C1NC(=O)c1ccccc1
InChIInChI=1S/C22H21N3O2/c1-22(2)13-18(26)17-14-23-25(16-11-7-4-8-12-16)19(17)20(22)24-21(27)15-9-5-3-6-10-15/h3-12,14,20H,13H2,1-2H3,(H,24,27)
InChIKeySQFHUUCEFDBBNZ-UHFFFAOYSA-N
XLogP3.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-7-azido-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one
CID 40522898
5-(4-bromo-2-methylanilino)-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one
CID 155979930
N-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 34424786
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide
CID 26333048
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 45169114
(4Z)-6,6-dimethyl-N-[(4-nitrophenyl)methyl]-1-phenyl-4-(phenylhydrazinylidene)-5,7-dihydroindazol-7-amine
CID 155979704
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-imidazol-1-ylbenzamide
CID 26396897
(5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone
CID 10706606
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3,4,5-trimethoxybenzamide
CID 42591856
5-benzamido-1-phenylpyrazole-4-carboxylic acid
CID 16638016
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 42415043
7-bromo-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one
CID 5121882

Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethyl-4-oxo-1-phenyl-5,7-dihydroindazol-7-yl)benzamide?
The IUPAC name of N-(6,6-dimethyl-4-oxo-1-phenyl-5,7-dihydroindazol-7-yl)benzamide (CID 155979739) is N-(6,6-dimethyl-4-oxo-1-phenyl-5,7-dihydroindazol-7-yl)benzamide.
What is the SMILES notation for N-(6,6-dimethyl-4-oxo-1-phenyl-5,7-dihydroindazol-7-yl)benzamide?
The canonical SMILES for N-(6,6-dimethyl-4-oxo-1-phenyl-5,7-dihydroindazol-7-yl)benzamide is CC1(C)CC(=O)c2cnn(-c3ccccc3)c2C1NC(=O)c1ccccc1.
What is the InChIKey of N-(6,6-dimethyl-4-oxo-1-phenyl-5,7-dihydroindazol-7-yl)benzamide?
The InChIKey is SQFHUUCEFDBBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-22(2)13-18(26)17-14-23-25(16-11-7-4-8-12-16)19(17)20(22)24-21(27)15-9-5-3-6-10-15/h3-12,14,20H,13H2,1-2H3,(H,24,27).
What are the key properties of N-(6,6-dimethyl-4-oxo-1-phenyl-5,7-dihydroindazol-7-yl)benzamide?
N-(6,6-dimethyl-4-oxo-1-phenyl-5,7-dihydroindazol-7-yl)benzamide has a molecular weight of 359.43 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethyl-4-oxo-1-phenyl-5,7-dihydroindazol-7-yl)benzamide is sourced from PubChem (CID 155979739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).