(E)-3-(2-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)prop-2-en-1-amine

C15H19N3O — CID 56823424

IUPAC(E)-3-(2-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)prop-2-en-1-amine
SMILESCOc1ccccc1/C=C/CNCCn1cccn1
InChIInChI=1S/C15H19N3O/c1-19-15-8-3-2-6-14(15)7-4-9-16-11-13-18-12-5-10-17-18/h2-8,10,12,16H,9,11,13H2,1H3/b7-4+
InChIKeyWUJCLKOPAWUHAY-QPJJXVBHSA-N
MW257.34 g/mol
LogP2.19
Rot. Bonds7

About (E)-3-(2-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)prop-2-en-1-amine

(E)-3-(2-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)prop-2-en-1-amine (PubChem CID 56823424) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)prop-2-en-1-amine
PubChem CID56823424
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(E)-3-(2-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)prop-2-en-1-amine
SMILESCOc1ccccc1/C=C/CNCCn1cccn1
InChIInChI=1S/C15H19N3O/c1-19-15-8-3-2-6-14(15)7-4-9-16-11-13-18-12-5-10-17-18/h2-8,10,12,16H,9,11,13H2,1H3/b7-4+
InChIKeyWUJCLKOPAWUHAY-QPJJXVBHSA-N
XLogP2.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
CID 78918220
(Z)-3-(2-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-en-1-amine
CID 98474952
3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79346794
2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 35525598
1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol
CID 111119048
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-pyrazol-1-ylethanamine
CID 61071668
(4S,5R)-4-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]methyl]-1-methyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one
CID 167982267
N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 61070547
3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine
CID 113392574
N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide
CID 56823427
N-[(2-bromo-3,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 56781264
4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline
CID 54968374

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(2-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)prop-2-en-1-amine (CID 56823424) is (E)-3-(2-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)prop-2-en-1-amine is COc1ccccc1/C=C/CNCCn1cccn1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)prop-2-en-1-amine?
The InChIKey is WUJCLKOPAWUHAY-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-15-8-3-2-6-14(15)7-4-9-16-11-13-18-12-5-10-17-18/h2-8,10,12,16H,9,11,13H2,1H3/b7-4+.
What are the key properties of (E)-3-(2-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)prop-2-en-1-amine?
(E)-3-(2-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)prop-2-en-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)prop-2-en-1-amine is sourced from PubChem (CID 56823424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).