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

C24H27N3O3 — CID 45224872

IUPACN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NC2CCCc3c2cnn3-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C24H27N3O3/c1-15-10-16(2)12-17(11-15)27-22-7-5-6-21(20(22)14-25-27)26-24(28)19-13-18(29-3)8-9-23(19)30-4/h8-14,21H,5-7H2,1-4H3,(H,26,28)
InChIKeyFXMXEBHEBMSMKO-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.31
Rot. Bonds5

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

N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethoxybenzamide (PubChem CID 45224872) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethoxybenzamide
PubChem CID45224872
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NC2CCCc3c2cnn3-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C24H27N3O3/c1-15-10-16(2)12-17(11-15)27-22-7-5-6-21(20(22)14-25-27)26-24(28)19-13-18(29-3)8-9-23(19)30-4/h8-14,21H,5-7H2,1-4H3,(H,26,28)
InChIKeyFXMXEBHEBMSMKO-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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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethoxybenzamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethoxybenzamide (CID 45224872) is N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethoxybenzamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)NC2CCCc3c2cnn3-c2cc(C)cc(C)c2)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethoxybenzamide?
The InChIKey is FXMXEBHEBMSMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-15-10-16(2)12-17(11-15)27-22-7-5-6-21(20(22)14-25-27)26-24(28)19-13-18(29-3)8-9-23(19)30-4/h8-14,21H,5-7H2,1-4H3,(H,26,28).
What are the key properties of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethoxybenzamide?
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-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-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 45224872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).