N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethylpropanamide

C21H29N3O — CID 26327369

IUPACN-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethylpropanamide
SMILESCc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)C(C)(C)C
InChIInChI=1S/C21H29N3O/c1-14-9-7-8-10-17(14)24-18-12-21(5,6)11-16(15(18)13-22-24)23-19(25)20(2,3)4/h7-10,13,16H,11-12H2,1-6H3,(H,23,25)/t16-/m1/s1
InChIKeyJSORHHWLNQTDED-MRXNPFEDSA-N
MW339.48 g/mol
LogP4.36
Rot. Bonds2

About N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethylpropanamide

N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethylpropanamide (PubChem CID 26327369) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethylpropanamide
PubChem CID26327369
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethylpropanamide
SMILESCc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)C(C)(C)C
InChIInChI=1S/C21H29N3O/c1-14-9-7-8-10-17(14)24-18-12-21(5,6)11-16(15(18)13-22-24)23-19(25)20(2,3)4/h7-10,13,16H,11-12H2,1-6H3,(H,23,25)/t16-/m1/s1
InChIKeyJSORHHWLNQTDED-MRXNPFEDSA-N
XLogP4.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

N'-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-N-propyloxamide
CID 72853657
N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 24791220
N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 25370066
N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carboxamide
CID 42457754
N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,3,4-trimethoxybenzamide
CID 24817088
N-(furan-3-ylmethyl)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-amine
CID 45208161
N-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide
CID 97156493
2-chloro-4-[[[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]methyl]-6-methoxyphenol
CID 25478017
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)prop-2-enamide
CID 102454416
(4S)-6,6-dimethyl-1-(2-methylphenyl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-5,7-dihydro-4H-indazol-4-amine
CID 26332183
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide
CID 42515367
1-(2-chlorophenyl)-N-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine
CID 65356817

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethylpropanamide (CID 26327369) is N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethylpropanamide is Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)C(C)(C)C.
What is the InChIKey of N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethylpropanamide?
The InChIKey is JSORHHWLNQTDED-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29N3O/c1-14-9-7-8-10-17(14)24-18-12-21(5,6)11-16(15(18)13-22-24)23-19(25)20(2,3)4/h7-10,13,16H,11-12H2,1-6H3,(H,23,25)/t16-/m1/s1.
What are the key properties of N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethylpropanamide?
N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethylpropanamide has a molecular weight of 339.48 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 26327369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).