2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine

C16H23N3O — CID 104694287

IUPAC2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1cccc(CNCCc2ccnn2C)c1
InChIInChI=1S/C16H23N3O/c1-3-11-20-16-6-4-5-14(12-16)13-17-9-7-15-8-10-18-19(15)2/h4-6,8,10,12,17H,3,7,9,11,13H2,1-2H3
InChIKeyUZSSGXXQSKGCQA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.54
Rot. Bonds8

About 2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine

2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine (PubChem CID 104694287) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
PubChem CID104694287
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1cccc(CNCCc2ccnn2C)c1
InChIInChI=1S/C16H23N3O/c1-3-11-20-16-6-4-5-14(12-16)13-17-9-7-15-8-10-18-19(15)2/h4-6,8,10,12,17H,3,7,9,11,13H2,1-2H3
InChIKeyUZSSGXXQSKGCQA-UHFFFAOYSA-N
XLogP2.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)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

2-[3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenoxy]acetonitrile
CID 103005192
N-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694342
N-[(3-bromophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694451
1-[3-(3-methoxypropoxy)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 86867695
N-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline
CID 43693776
2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 25248276
N-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine
CID 39374683
N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491603
N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694398
1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965504
N-[(3-propoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957364
N-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 55137874

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine (CID 104694287) is 2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine is CCCOc1cccc(CNCCc2ccnn2C)c1.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The InChIKey is UZSSGXXQSKGCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-11-20-16-6-4-5-14(12-16)13-17-9-7-15-8-10-18-19(15)2/h4-6,8,10,12,17H,3,7,9,11,13H2,1-2H3.
What are the key properties of 2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine?
2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 104694287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).