N-[[3-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]ethanamine

C12H16N4O — CID 105075984

IUPACN-[[3-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1Oc1cnn(C)c1
InChIInChI=1S/C12H16N4O/c1-3-13-6-10-4-5-14-8-12(10)17-11-7-15-16(2)9-11/h4-5,7-9,13H,3,6H2,1-2H3
InChIKeyHRSFHGASTKDDMD-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.72
Rot. Bonds5

About N-[[3-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]ethanamine

N-[[3-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]ethanamine (PubChem CID 105075984) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-[[3-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]ethanamine
PubChem CID105075984
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-[[3-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1Oc1cnn(C)c1
InChIInChI=1S/C12H16N4O/c1-3-13-6-10-4-5-14-8-12(10)17-11-7-15-16(2)9-11/h4-5,7-9,13H,3,6H2,1-2H3
InChIKeyHRSFHGASTKDDMD-UHFFFAOYSA-N
XLogP1.72
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]ethanamine
CID 116793323
N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075595
N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075483
N-[[3-(4-fluoro-3-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075869
N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075332
N-[[3-(2,4,5-trichlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075180
N-[[4-bromo-2-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-1-amine
CID 116793140
N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074999
N-[[3-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075441
N-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075462
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074911
N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]-4-pyridinyl]methyl]ethanamine
CID 105075391

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]ethanamine (CID 105075984) is N-[[3-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]ethanamine is CCNCc1ccncc1Oc1cnn(C)c1.
What is the InChIKey of N-[[3-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]ethanamine?
The InChIKey is HRSFHGASTKDDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-13-6-10-4-5-14-8-12(10)17-11-7-15-16(2)9-11/h4-5,7-9,13H,3,6H2,1-2H3.
What are the key properties of N-[[3-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]ethanamine?
N-[[3-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]ethanamine has a molecular weight of 232.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105075984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).