N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-3-pyridinyl]methyl]propan-1-amine

C14H20N4O — CID 81342161

IUPACN-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COc2cc(C)[nH]n2)nc1
InChIInChI=1S/C14H20N4O/c1-3-6-15-8-12-4-5-13(16-9-12)10-19-14-7-11(2)17-18-14/h4-5,7,9,15H,3,6,8,10H2,1-2H3,(H,17,18)
InChIKeyGNIBKVIAZBHOFM-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.19
Rot. Bonds7

About N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-3-pyridinyl]methyl]propan-1-amine

N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-3-pyridinyl]methyl]propan-1-amine (PubChem CID 81342161) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-3-pyridinyl]methyl]propan-1-amine
PubChem CID81342161
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COc2cc(C)[nH]n2)nc1
InChIInChI=1S/C14H20N4O/c1-3-6-15-8-12-4-5-13(16-9-12)10-19-14-7-11(2)17-18-14/h4-5,7,9,15H,3,6,8,10H2,1-2H3,(H,17,18)
InChIKeyGNIBKVIAZBHOFM-UHFFFAOYSA-N
XLogP2.19
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-3-pyridinyl]methyl]propan-1-amine 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-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908531
N-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 81342343
N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-3-pyridinyl]methyl]propan-1-amine
CID 81315335
N-[[6-[2-(2-methylpropoxy)ethoxymethyl]-3-pyridinyl]methyl]propan-1-amine
CID 106450090
N-[[5-(ethoxymethyl)-2-pyridinyl]methyl]butan-1-amine
CID 143966477
N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 107285112
N-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine
CID 81342336
N-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-phenylethyl]propan-1-amine
CID 81341788
3-ethoxy-5-methyl-1H-pyrazole;hydrochloride
CID 53398899
N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 60976157
N-[[3-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]ethanamine
CID 81341598
N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 62293001

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-3-pyridinyl]methyl]propan-1-amine (CID 81342161) is N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-3-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(COc2cc(C)[nH]n2)nc1.
What is the InChIKey of N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is GNIBKVIAZBHOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-6-15-8-12-4-5-13(16-9-12)10-19-14-7-11(2)17-18-14/h4-5,7,9,15H,3,6,8,10H2,1-2H3,(H,17,18).
What are the key properties of N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-3-pyridinyl]methyl]propan-1-amine?
N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 81342161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).