N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,3-dimethoxybenzamide

C24H27N3O3 — CID 24817335

IUPACN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCCc3c2cnn3-c2ccc(C)c(C)c2)c1OC
InChIInChI=1S/C24H27N3O3/c1-15-11-12-17(13-16(15)2)27-21-9-6-8-20(19(21)14-25-27)26-24(28)18-7-5-10-22(29-3)23(18)30-4/h5,7,10-14,20H,6,8-9H2,1-4H3,(H,26,28)
InChIKeyHFJDXVYYUMGPFQ-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.31
Rot. Bonds5

About N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,3-dimethoxybenzamide

N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,3-dimethoxybenzamide (PubChem CID 24817335) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,3-dimethoxybenzamide
PubChem CID24817335
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCCc3c2cnn3-c2ccc(C)c(C)c2)c1OC
InChIInChI=1S/C24H27N3O3/c1-15-11-12-17(13-16(15)2)27-21-9-6-8-20(19(21)14-25-27)26-24(28)18-7-5-10-22(29-3)23(18)30-4/h5,7,10-14,20H,6,8-9H2,1-4H3,(H,26,28)
InChIKeyHFJDXVYYUMGPFQ-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indazol-5-yl)-2,3-dimethoxybenzamide
CID 6469044
N-(6,6-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)-2,5-dimethoxybenzamide
CID 24790794
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3,4-dimethoxybenzamide
CID 24791056
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3,4,5-trimethoxybenzamide
CID 24793842
N-(6,6-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)-3,4-dimethoxybenzamide
CID 24817083
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-methoxybenzamide
CID 24817340
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,3,4-trimethoxybenzamide
CID 24817766
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2,5-dimethoxybenzamide
CID 45224872
2,3-Dimethoxy-N~1~-[4-(5-phenyl-1H-1,2,3-triazol-1-YL)phenyl]benzamide
CID 4379649
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2,3,4-trimethoxybenzamide
CID 24790292
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,4,5-trimethoxybenzamide
CID 24791978
N-[6,6-dimethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2,3,4-trimethoxybenzamide
CID 24817088

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,3-dimethoxybenzamide (CID 24817335) is N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NC2CCCc3c2cnn3-c2ccc(C)c(C)c2)c1OC.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,3-dimethoxybenzamide?
The InChIKey is HFJDXVYYUMGPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-15-11-12-17(13-16(15)2)27-21-9-6-8-20(19(21)14-25-27)26-24(28)18-7-5-10-22(29-3)23(18)30-4/h5,7,10-14,20H,6,8-9H2,1-4H3,(H,26,28).
What are the key properties of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,3-dimethoxybenzamide?
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,3-dimethoxybenzamide has a molecular weight of 405.50 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 24817335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).