(E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)prop-2-enamide

C15H17N3O2 — CID 115968541

IUPAC(E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCc1cn[nH]c1NC(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C15H17N3O2/c1-3-12-10-16-18-15(12)17-14(19)9-6-11-4-7-13(20-2)8-5-11/h4-10H,3H2,1-2H3,(H2,16,17,18,19)/b9-6+
InChIKeyGQOKGMUKGBYOSW-RMKNXTFCSA-N
MW271.32 g/mol
LogP2.63
Rot. Bonds5

About (E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 115968541) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID115968541
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCc1cn[nH]c1NC(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C15H17N3O2/c1-3-12-10-16-18-15(12)17-14(19)9-6-11-4-7-13(20-2)8-5-11/h4-10H,3H2,1-2H3,(H2,16,17,18,19)/b9-6+
InChIKeyGQOKGMUKGBYOSW-RMKNXTFCSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
N-(4-ethyl-1H-pyrazol-5-yl)-2-(4-methoxyphenoxy)propanamide
CID 115680789
(E)-3-(2-bromophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)prop-2-enamide
CID 115681477
(E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(2-fluorophenyl)prop-2-enamide
CID 112629995
(E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide
CID 122301600
(E)-3-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide
CID 83101611
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
(E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 954315
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
(E)-N-(6-chloropyrazin-2-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 104820113
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
3-methoxy-5-(4-methoxyphenyl)penta-2,4-dienoic acid
CID 71336334

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)prop-2-enamide (CID 115968541) is (E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)prop-2-enamide is CCc1cn[nH]c1NC(=O)/C=C/c1ccc(OC)cc1.
What is the InChIKey of (E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is GQOKGMUKGBYOSW-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-12-10-16-18-15(12)17-14(19)9-6-11-4-7-13(20-2)8-5-11/h4-10H,3H2,1-2H3,(H2,16,17,18,19)/b9-6+.
What are the key properties of (E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 271.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 115968541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).