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

C25H29N3O4 — CID 24791978

IUPACN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H29N3O4/c1-25(2)13-19(18-15-26-28(20(18)14-25)17-9-7-6-8-10-17)27-24(29)16-11-21(30-3)23(32-5)22(12-16)31-4/h6-12,15,19H,13-14H2,1-5H3,(H,27,29)
InChIKeyWJTOQUDAUQYPRC-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.34
Rot. Bonds6

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

N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4,5-trimethoxybenzamide (PubChem CID 24791978) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4,5-trimethoxybenzamide
PubChem CID24791978
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC NameN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H29N3O4/c1-25(2)13-19(18-15-26-28(20(18)14-25)17-9-7-6-8-10-17)27-24(29)16-11-21(30-3)23(32-5)22(12-16)31-4/h6-12,15,19H,13-14H2,1-5H3,(H,27,29)
InChIKeyWJTOQUDAUQYPRC-UHFFFAOYSA-N
XLogP4.34
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4,5-trimethoxybenzamide (CID 24791978) is N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is WJTOQUDAUQYPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-25(2)13-19(18-15-26-28(20(18)14-25)17-9-7-6-8-10-17)27-24(29)16-11-21(30-3)23(32-5)22(12-16)31-4/h6-12,15,19H,13-14H2,1-5H3,(H,27,29).
What are the key properties of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4,5-trimethoxybenzamide?
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 435.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 24791978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).