N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4-dimethoxybenzamide

C24H27N3O3 — CID 24817083

IUPACN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2)cc1OC
InChIInChI=1S/C24H27N3O3/c1-24(2)13-19(26-23(28)16-10-11-21(29-3)22(12-16)30-4)18-15-25-27(20(18)14-24)17-8-6-5-7-9-17/h5-12,15,19H,13-14H2,1-4H3,(H,26,28)
InChIKeyVYPDBXKQZCKGME-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.33
Rot. Bonds5

About N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4-dimethoxybenzamide

N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4-dimethoxybenzamide (PubChem CID 24817083) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4-dimethoxybenzamide
PubChem CID24817083
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2)cc1OC
InChIInChI=1S/C24H27N3O3/c1-24(2)13-19(26-23(28)16-10-11-21(29-3)22(12-16)30-4)18-15-25-27(20(18)14-24)17-8-6-5-7-9-17/h5-12,15,19H,13-14H2,1-4H3,(H,26,28)
InChIKeyVYPDBXKQZCKGME-UHFFFAOYSA-N
XLogP4.33
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4-dimethoxybenzamide (CID 24817083) is N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2)cc1OC.
What is the InChIKey of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4-dimethoxybenzamide?
The InChIKey is VYPDBXKQZCKGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-24(2)13-19(26-23(28)16-10-11-21(29-3)22(12-16)30-4)18-15-25-27(20(18)14-24)17-8-6-5-7-9-17/h5-12,15,19H,13-14H2,1-4H3,(H,26,28).
What are the key properties of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4-dimethoxybenzamide?
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4-dimethoxybenzamide has a molecular weight of 405.50 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 24817083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).