N-[3-(2-methylphenyl)cyclobutyl]-1H-indazol-4-amine

C18H19N3 — CID 60931253

IUPACN-[3-(2-methylphenyl)cyclobutyl]-1H-indazol-4-amine
SMILESCc1ccccc1C1CC(Nc2cccc3[nH]ncc23)C1
InChIInChI=1S/C18H19N3/c1-12-5-2-3-6-15(12)13-9-14(10-13)20-17-7-4-8-18-16(17)11-19-21-18/h2-8,11,13-14,20H,9-10H2,1H3,(H,19,21)
InChIKeyBQEMLGUOZQZKNQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.23
Rot. Bonds3

About N-[3-(2-methylphenyl)cyclobutyl]-1H-indazol-4-amine

N-[3-(2-methylphenyl)cyclobutyl]-1H-indazol-4-amine (PubChem CID 60931253) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[3-(2-methylphenyl)cyclobutyl]-1H-indazol-4-amine.

Molecular Properties

Compound NameN-[3-(2-methylphenyl)cyclobutyl]-1H-indazol-4-amine
PubChem CID60931253
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[3-(2-methylphenyl)cyclobutyl]-1H-indazol-4-amine
SMILESCc1ccccc1C1CC(Nc2cccc3[nH]ncc23)C1
InChIInChI=1S/C18H19N3/c1-12-5-2-3-6-15(12)13-9-14(10-13)20-17-7-4-8-18-16(17)11-19-21-18/h2-8,11,13-14,20H,9-10H2,1H3,(H,19,21)
InChIKeyBQEMLGUOZQZKNQ-UHFFFAOYSA-N
XLogP4.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(2-methylphenyl)cyclobutyl]-1H-indazol-4-amine 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-[3-(2-methylphenyl)cyclobutyl]-1H-indazol-4-amine?
The IUPAC name of N-[3-(2-methylphenyl)cyclobutyl]-1H-indazol-4-amine (CID 60931253) is N-[3-(2-methylphenyl)cyclobutyl]-1H-indazol-4-amine.
What is the SMILES notation for N-[3-(2-methylphenyl)cyclobutyl]-1H-indazol-4-amine?
The canonical SMILES for N-[3-(2-methylphenyl)cyclobutyl]-1H-indazol-4-amine is Cc1ccccc1C1CC(Nc2cccc3[nH]ncc23)C1.
What is the InChIKey of N-[3-(2-methylphenyl)cyclobutyl]-1H-indazol-4-amine?
The InChIKey is BQEMLGUOZQZKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-12-5-2-3-6-15(12)13-9-14(10-13)20-17-7-4-8-18-16(17)11-19-21-18/h2-8,11,13-14,20H,9-10H2,1H3,(H,19,21).
What are the key properties of N-[3-(2-methylphenyl)cyclobutyl]-1H-indazol-4-amine?
N-[3-(2-methylphenyl)cyclobutyl]-1H-indazol-4-amine has a molecular weight of 277.37 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylphenyl)cyclobutyl]-1H-indazol-4-amine is sourced from PubChem (CID 60931253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).