(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide

C23H24N4O2 — CID 9489284

IUPAC(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide
SMILESCCNC(=O)CNC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H24N4O2/c1-2-24-22(29)15-25-21(28)14-13-20-17-27(16-18-9-5-3-6-10-18)26-23(20)19-11-7-4-8-12-19/h3-14,17H,2,15-16H2,1H3,(H,24,29)(H,25,28)/b14-13+
InChIKeyJWLVGABBFJXTPG-BUHFOSPRSA-N
MW388.47 g/mol
LogP2.86
Rot. Bonds8

About (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide

(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide (PubChem CID 9489284) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide
PubChem CID9489284
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide
SMILESCCNC(=O)CNC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H24N4O2/c1-2-24-22(29)15-25-21(28)14-13-20-17-27(16-18-9-5-3-6-10-18)26-23(20)19-11-7-4-8-12-19/h3-14,17H,2,15-16H2,1H3,(H,24,29)(H,25,28)/b14-13+
InChIKeyJWLVGABBFJXTPG-BUHFOSPRSA-N
XLogP2.86
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide?
The IUPAC name of (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide (CID 9489284) is (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide is CCNC(=O)CNC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide?
The InChIKey is JWLVGABBFJXTPG-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-2-24-22(29)15-25-21(28)14-13-20-17-27(16-18-9-5-3-6-10-18)26-23(20)19-11-7-4-8-12-19/h3-14,17H,2,15-16H2,1H3,(H,24,29)(H,25,28)/b14-13+.
What are the key properties of (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide?
(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide has a molecular weight of 388.47 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 9489284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).