naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine

C17H19N3 — CID 63976392

IUPACnaphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1cccc2ccccc12
InChIInChI=1S/C17H19N3/c1-2-12-20-16(10-11-19-20)17(18)15-9-5-7-13-6-3-4-8-14(13)15/h3-11,17H,2,12,18H2,1H3
InChIKeyPLHQGWHHTRIFIR-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.49
Rot. Bonds4

About naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine

naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine (PubChem CID 63976392) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Namenaphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine
PubChem CID63976392
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Namenaphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1cccc2ccccc12
InChIInChI=1S/C17H19N3/c1-2-12-20-16(10-11-19-20)17(18)15-9-5-7-13-6-3-4-8-14(13)15/h3-11,17H,2,12,18H2,1H3
InChIKeyPLHQGWHHTRIFIR-UHFFFAOYSA-N
XLogP3.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine 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 naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine (CID 63976392) is naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(N)c1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is PLHQGWHHTRIFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-12-20-16(10-11-19-20)17(18)15-9-5-7-13-6-3-4-8-14(13)15/h3-11,17H,2,12,18H2,1H3.
What are the key properties of naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine?
naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 265.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 63976392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).