3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine

C17H20N4 — CID 61439662

IUPAC3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine
SMILESCN(Cc1cnn(C)c1)Cc1cc2ccccc2cc1N
InChIInChI=1S/C17H20N4/c1-20(10-13-9-19-21(2)11-13)12-16-7-14-5-3-4-6-15(14)8-17(16)18/h3-9,11H,10,12,18H2,1-2H3
InChIKeyXIDGFAKTTYWRQO-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.79
Rot. Bonds4

About 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine

3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine (PubChem CID 61439662) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine.

Molecular Properties

Compound Name3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine
PubChem CID61439662
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine
SMILESCN(Cc1cnn(C)c1)Cc1cc2ccccc2cc1N
InChIInChI=1S/C17H20N4/c1-20(10-13-9-19-21(2)11-13)12-16-7-14-5-3-4-6-15(14)8-17(16)18/h3-9,11H,10,12,18H2,1-2H3
InChIKeyXIDGFAKTTYWRQO-UHFFFAOYSA-N
XLogP2.79
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-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 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine?
The IUPAC name of 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine (CID 61439662) is 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine.
What is the SMILES notation for 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine?
The canonical SMILES for 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine is CN(Cc1cnn(C)c1)Cc1cc2ccccc2cc1N.
What is the InChIKey of 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine?
The InChIKey is XIDGFAKTTYWRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-20(10-13-9-19-21(2)11-13)12-16-7-14-5-3-4-6-15(14)8-17(16)18/h3-9,11H,10,12,18H2,1-2H3.
What are the key properties of 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine?
3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine has a molecular weight of 280.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine is sourced from PubChem (CID 61439662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).