(E)-3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide

C15H17N3O2 — CID 103855852

IUPAC(E)-3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC(C)c2cn[nH]c2)cc1
InChIInChI=1S/C15H17N3O2/c1-11(13-9-16-17-10-13)18-15(19)8-5-12-3-6-14(20-2)7-4-12/h3-11H,1-2H3,(H,16,17)(H,18,19)/b8-5+
InChIKeyZMUXJJYLDNVSSW-VMPITWQZSA-N
MW271.32 g/mol
LogP2.31
Rot. Bonds5

About (E)-3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide (PubChem CID 103855852) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
PubChem CID103855852
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(E)-3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC(C)c2cn[nH]c2)cc1
InChIInChI=1S/C15H17N3O2/c1-11(13-9-16-17-10-13)18-15(19)8-5-12-3-6-14(20-2)7-4-12/h3-11H,1-2H3,(H,16,17)(H,18,19)/b8-5+
InChIKeyZMUXJJYLDNVSSW-VMPITWQZSA-N
XLogP2.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide 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)-3-(4-aminophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
CID 106212830
(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 93486677
(E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 94016154
(E)-N-[1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 103855933
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92646063
(E)-3-(2,4-dimethylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
CID 103856185
(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 38018786
(E)-N-[(1S)-1-(4-methoxyphenyl)ethyl]but-2-enamide
CID 81370657
(E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 9246720
(E)-3-(4-methoxyphenyl)-N-(1-phenylethylcarbamothioyl)prop-2-enamide
CID 6276155
(E)-4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-4-oxobut-2-enoic acid
CID 81359774
(E)-N-[(1S)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 9220065

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide (CID 103855852) is (E)-3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NC(C)c2cn[nH]c2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide?
The InChIKey is ZMUXJJYLDNVSSW-VMPITWQZSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11(13-9-16-17-10-13)18-15(19)8-5-12-3-6-14(20-2)7-4-12/h3-11H,1-2H3,(H,16,17)(H,18,19)/b8-5+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide has a molecular weight of 271.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 103855852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).