(E)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide

C20H24N4O4 — CID 19338866

IUPAC(E)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCn1ncc(NC(=O)/C=C/c2ccc(OC)cc2)c1C(=O)N1CCOCC1
InChIInChI=1S/C20H24N4O4/c1-3-24-19(20(26)23-10-12-28-13-11-23)17(14-21-24)22-18(25)9-6-15-4-7-16(27-2)8-5-15/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)/b9-6+
InChIKeyQAICXHASEOFSCX-RMKNXTFCSA-N
MW384.44 g/mol
LogP2.04
Rot. Bonds6

About (E)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 19338866) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is (E)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID19338866
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name(E)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCn1ncc(NC(=O)/C=C/c2ccc(OC)cc2)c1C(=O)N1CCOCC1
InChIInChI=1S/C20H24N4O4/c1-3-24-19(20(26)23-10-12-28-13-11-23)17(14-21-24)22-18(25)9-6-15-4-7-16(27-2)8-5-15/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)/b9-6+
InChIKeyQAICXHASEOFSCX-RMKNXTFCSA-N
XLogP2.04
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-4-methoxybenzamide
CID 19338897
(E)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 19338834
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-methoxy-2-methylbenzamide
CID 19338984
(E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide
CID 17205470
2-chloro-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338846
3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338842
3-(4-methoxyphenyl)-N-morpholin-4-ylprop-2-enamide
CID 5104066
(E)-3-(4-methoxyphenyl)-N-morpholin-4-ylprop-2-enamide
CID 6271180
(Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
CID 19394362
4-[[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496360
3-(4-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)carbamothioyl]prop-2-enamide
CID 3468232
1-(1-adamantyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]urea
CID 19449716

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide (CID 19338866) is (E)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide is CCn1ncc(NC(=O)/C=C/c2ccc(OC)cc2)c1C(=O)N1CCOCC1.
What is the InChIKey of (E)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is QAICXHASEOFSCX-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-3-24-19(20(26)23-10-12-28-13-11-23)17(14-21-24)22-18(25)9-6-15-4-7-16(27-2)8-5-15/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)/b9-6+.
What are the key properties of (E)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 384.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 19338866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).