(E)-N-[2-(1-methylpyrazol-3-yl)ethyl]-3-phenylprop-2-en-1-amine

C15H19N3 — CID 113434551

IUPAC(E)-N-[2-(1-methylpyrazol-3-yl)ethyl]-3-phenylprop-2-en-1-amine
SMILESCn1ccc(CCNC/C=C/c2ccccc2)n1
InChIInChI=1S/C15H19N3/c1-18-13-10-15(17-18)9-12-16-11-5-8-14-6-3-2-4-7-14/h2-8,10,13,16H,9,11-12H2,1H3/b8-5+
InChIKeyJTDAOGIWYWPBNT-VMPITWQZSA-N
MW241.34 g/mol
LogP2.27
Rot. Bonds6

About (E)-N-[2-(1-methylpyrazol-3-yl)ethyl]-3-phenylprop-2-en-1-amine

(E)-N-[2-(1-methylpyrazol-3-yl)ethyl]-3-phenylprop-2-en-1-amine (PubChem CID 113434551) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is (E)-N-[2-(1-methylpyrazol-3-yl)ethyl]-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[2-(1-methylpyrazol-3-yl)ethyl]-3-phenylprop-2-en-1-amine
PubChem CID113434551
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name(E)-N-[2-(1-methylpyrazol-3-yl)ethyl]-3-phenylprop-2-en-1-amine
SMILESCn1ccc(CCNC/C=C/c2ccccc2)n1
InChIInChI=1S/C15H19N3/c1-18-13-10-15(17-18)9-12-16-11-5-8-14-6-3-2-4-7-14/h2-8,10,13,16H,9,11-12H2,1H3/b8-5+
InChIKeyJTDAOGIWYWPBNT-VMPITWQZSA-N
XLogP2.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[2-(1-methylpyrazol-3-yl)ethyl]-3-phenylprop-2-en-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

(E)-N-[2-(1-methylpyrazol-3-yl)ethyl]but-2-en-1-amine
CID 106104491
(Z)-3-phenyl-N-(2-phenylethyl)prop-2-en-1-amine
CID 93072278
2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104626821
N-[2-(1-methylpyrazol-3-yl)ethyl]but-3-en-1-amine
CID 106104517
N-[(2-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 113434541
N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine
CID 106104362
N-[2-(2-ethoxyphenoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104724
N',N'-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 106104819
N-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
CID 104626268
2-hydroxy-2-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]propanoic acid
CID 106104661
2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 106104206
N-[(3-chloro-1H-indol-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104325

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(1-methylpyrazol-3-yl)ethyl]-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-[2-(1-methylpyrazol-3-yl)ethyl]-3-phenylprop-2-en-1-amine (CID 113434551) is (E)-N-[2-(1-methylpyrazol-3-yl)ethyl]-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-[2-(1-methylpyrazol-3-yl)ethyl]-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-[2-(1-methylpyrazol-3-yl)ethyl]-3-phenylprop-2-en-1-amine is Cn1ccc(CCNC/C=C/c2ccccc2)n1.
What is the InChIKey of (E)-N-[2-(1-methylpyrazol-3-yl)ethyl]-3-phenylprop-2-en-1-amine?
The InChIKey is JTDAOGIWYWPBNT-VMPITWQZSA-N. The full InChI is InChI=1S/C15H19N3/c1-18-13-10-15(17-18)9-12-16-11-5-8-14-6-3-2-4-7-14/h2-8,10,13,16H,9,11-12H2,1H3/b8-5+.
What are the key properties of (E)-N-[2-(1-methylpyrazol-3-yl)ethyl]-3-phenylprop-2-en-1-amine?
(E)-N-[2-(1-methylpyrazol-3-yl)ethyl]-3-phenylprop-2-en-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1-methylpyrazol-3-yl)ethyl]-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 113434551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).