N-methyl-2-[6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-phenylethanamine

C18H20N4 — CID 59331990

IUPACN-methyl-2-[6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-phenylethanamine
SMILESCNCC(c1ccccc1)c1ccc(-c2cn[nH]c2C)nc1
InChIInChI=1S/C18H20N4/c1-13-16(12-21-22-13)18-9-8-15(10-20-18)17(11-19-2)14-6-4-3-5-7-14/h3-10,12,17,19H,11H2,1-2H3,(H,21,22)
InChIKeyLICZKISHIDWVMS-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.13
Rot. Bonds5

About N-methyl-2-[6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-phenylethanamine

N-methyl-2-[6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-phenylethanamine (PubChem CID 59331990) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-methyl-2-[6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-methyl-2-[6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-phenylethanamine
PubChem CID59331990
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC NameN-methyl-2-[6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-phenylethanamine
SMILESCNCC(c1ccccc1)c1ccc(-c2cn[nH]c2C)nc1
InChIInChI=1S/C18H20N4/c1-13-16(12-21-22-13)18-9-8-15(10-20-18)17(11-19-2)14-6-4-3-5-7-14/h3-10,12,17,19H,11H2,1-2H3,(H,21,22)
InChIKeyLICZKISHIDWVMS-UHFFFAOYSA-N
XLogP3.13
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-[6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-phenylethanamine 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-methyl-2-[6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-phenylethanamine?
The IUPAC name of N-methyl-2-[6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-phenylethanamine (CID 59331990) is N-methyl-2-[6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-phenylethanamine.
What is the SMILES notation for N-methyl-2-[6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-phenylethanamine?
The canonical SMILES for N-methyl-2-[6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-phenylethanamine is CNCC(c1ccccc1)c1ccc(-c2cn[nH]c2C)nc1.
What is the InChIKey of N-methyl-2-[6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-phenylethanamine?
The InChIKey is LICZKISHIDWVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-13-16(12-21-22-13)18-9-8-15(10-20-18)17(11-19-2)14-6-4-3-5-7-14/h3-10,12,17,19H,11H2,1-2H3,(H,21,22).
What are the key properties of N-methyl-2-[6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-phenylethanamine?
N-methyl-2-[6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-phenylethanamine has a molecular weight of 292.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-phenylethanamine is sourced from PubChem (CID 59331990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).