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

C23H25N3O2 — CID 24817340

IUPACN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCCc3c2cnn3-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C23H25N3O2/c1-15-10-16(2)12-18(11-15)26-22-9-5-8-21(20(22)14-24-26)25-23(27)17-6-4-7-19(13-17)28-3/h4,6-7,10-14,21H,5,8-9H2,1-3H3,(H,25,27)
InChIKeyRNSIDCIDMJGKOQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.31
Rot. Bonds4

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

N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxybenzamide (PubChem CID 24817340) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxybenzamide
PubChem CID24817340
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCCc3c2cnn3-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C23H25N3O2/c1-15-10-16(2)12-18(11-15)26-22-9-5-8-21(20(22)14-24-26)25-23(27)17-6-4-7-19(13-17)28-3/h4,6-7,10-14,21H,5,8-9H2,1-3H3,(H,25,27)
InChIKeyRNSIDCIDMJGKOQ-UHFFFAOYSA-N
XLogP4.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxybenzamide (CID 24817340) is N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxybenzamide is COc1cccc(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]-3-methoxybenzamide?
The InChIKey is RNSIDCIDMJGKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-10-16(2)12-18(11-15)26-22-9-5-8-21(20(22)14-24-26)25-23(27)17-6-4-7-19(13-17)28-3/h4,6-7,10-14,21H,5,8-9H2,1-3H3,(H,25,27).
What are the key properties of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxybenzamide?
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxybenzamide has a molecular weight of 375.47 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 24817340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).