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

C16H19N3O2 — CID 19294500

IUPAC(E)-N-[(2-ethylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCn1nccc1CNC(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C16H19N3O2/c1-3-19-14(10-11-18-19)12-17-16(20)9-6-13-4-7-15(21-2)8-5-13/h4-11H,3,12H2,1-2H3,(H,17,20)/b9-6+
InChIKeyOGHOVGUPHDXMRA-RMKNXTFCSA-N
MW285.35 g/mol
LogP2.24
Rot. Bonds6

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

(E)-N-[(2-ethylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 19294500) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (E)-N-[(2-ethylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2-ethylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID19294500
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(E)-N-[(2-ethylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCn1nccc1CNC(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C16H19N3O2/c1-3-19-14(10-11-18-19)12-17-16(20)9-6-13-4-7-15(21-2)8-5-13/h4-11H,3,12H2,1-2H3,(H,17,20)/b9-6+
InChIKeyOGHOVGUPHDXMRA-RMKNXTFCSA-N
XLogP2.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 121122617
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 4103426
3-(4-methoxyphenyl)-N-[[3-[[3-(4-methoxyphenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 1011377
(E)-N-[(4-bromophenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 61400451
2-[3-(4-methoxyphenyl)prop-2-enoylamino]acetic acid
CID 3401706
(E)-N-(2-chloroethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 6434079
(E)-N-[[4-(diethylamino)phenyl]methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 100509478
diethyl-[[4-[[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]methyl]azanium
CID 8947680
N-[(2-ethylpyrazol-3-yl)methyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19294616
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-ethylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(2-ethylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide (CID 19294500) is (E)-N-[(2-ethylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(2-ethylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(2-ethylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide is CCn1nccc1CNC(=O)/C=C/c1ccc(OC)cc1.
What is the InChIKey of (E)-N-[(2-ethylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is OGHOVGUPHDXMRA-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-19-14(10-11-18-19)12-17-16(20)9-6-13-4-7-15(21-2)8-5-13/h4-11H,3,12H2,1-2H3,(H,17,20)/b9-6+.
What are the key properties of (E)-N-[(2-ethylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-[(2-ethylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 285.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-ethylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 19294500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).