(E)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide

C15H16FN3O — CID 19290573

IUPAC(E)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESCCn1cc(CNC(=O)/C=C/c2ccc(F)cc2)cn1
InChIInChI=1S/C15H16FN3O/c1-2-19-11-13(10-18-19)9-17-15(20)8-5-12-3-6-14(16)7-4-12/h3-8,10-11H,2,9H2,1H3,(H,17,20)/b8-5+
InChIKeyBOJXLWVEVSVQDP-VMPITWQZSA-N
MW273.31 g/mol
LogP2.37
Rot. Bonds5

About (E)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide

(E)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 19290573) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is (E)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide
PubChem CID19290573
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name(E)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESCCn1cc(CNC(=O)/C=C/c2ccc(F)cc2)cn1
InChIInChI=1S/C15H16FN3O/c1-2-19-11-13(10-18-19)9-17-15(20)8-5-12-3-6-14(16)7-4-12/h3-8,10-11H,2,9H2,1H3,(H,17,20)/b8-5+
InChIKeyBOJXLWVEVSVQDP-VMPITWQZSA-N
XLogP2.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)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-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]prop-2-enamide
CID 19290554
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 868947
(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 790889
N-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 5049384
4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]methyl]benzoic acid
CID 17171986
(E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-[(1-ethylpyrazol-4-yl)methyl]prop-2-enamide
CID 6283973
(E)-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 19409255
(E)-3-(1-ethylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide
CID 19292658
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
(Z)-3-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]-N-[(1-ethylpyrazol-4-yl)methyl]prop-2-enamide
CID 92898635
(E)-3-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]-N-[(1-ethylpyrazol-4-yl)methyl]prop-2-enamide
CID 1236045
(E)-N-[3-(4-bromopyrazol-1-yl)propyl]-3-(4-fluorophenyl)prop-2-enamide
CID 19295855

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide (CID 19290573) is (E)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide is CCn1cc(CNC(=O)/C=C/c2ccc(F)cc2)cn1.
What is the InChIKey of (E)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is BOJXLWVEVSVQDP-VMPITWQZSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-2-19-11-13(10-18-19)9-17-15(20)8-5-12-3-6-14(16)7-4-12/h3-8,10-11H,2,9H2,1H3,(H,17,20)/b8-5+.
What are the key properties of (E)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 273.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 19290573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).