(E)-3-(1-benzylpyrazol-4-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide

C22H24N4O — CID 9092774

IUPAC(E)-3-(1-benzylpyrazol-4-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide
SMILESCCN(NC(=O)/C=C/c1cnn(Cc2ccccc2)c1)c1ccc(C)cc1
InChIInChI=1S/C22H24N4O/c1-3-26(21-12-9-18(2)10-13-21)24-22(27)14-11-20-15-23-25(17-20)16-19-7-5-4-6-8-19/h4-15,17H,3,16H2,1-2H3,(H,24,27)/b14-11+
InChIKeyQOVTWGFSJHKAGP-SDNWHVSQSA-N
MW360.46 g/mol
LogP3.81
Rot. Bonds7

About (E)-3-(1-benzylpyrazol-4-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide

(E)-3-(1-benzylpyrazol-4-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide (PubChem CID 9092774) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is (E)-3-(1-benzylpyrazol-4-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(1-benzylpyrazol-4-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide
PubChem CID9092774
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name(E)-3-(1-benzylpyrazol-4-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide
SMILESCCN(NC(=O)/C=C/c1cnn(Cc2ccccc2)c1)c1ccc(C)cc1
InChIInChI=1S/C22H24N4O/c1-3-26(21-12-9-18(2)10-13-21)24-22(27)14-11-20-15-23-25(17-20)16-19-7-5-4-6-8-19/h4-15,17H,3,16H2,1-2H3,(H,24,27)/b14-11+
InChIKeyQOVTWGFSJHKAGP-SDNWHVSQSA-N
XLogP3.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate
CID 83765807
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(E)-3-(1-benzylpyrazol-4-yl)-N-[2-(2,4-dimethylphenoxy)ethyl]prop-2-enamide
CID 8531957
(E)-N-(1-benzyl-4-chloropyrazol-3-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 19400807
methyl (2R)-2-[[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 9085094
(E)-3-(1-benzylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide
CID 9072850
[(2S)-2-[[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938341
(E)-3-(1-benzylpyrazol-4-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
CID 9072581
1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide
CID 86926836
(E)-3-(1-benzylpyrazol-4-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide
CID 9085552
(E)-3-(1-benzylpyrazol-4-yl)-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 9073393
(E)-3-(1-benzylpyrazol-4-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9088983

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzylpyrazol-4-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(1-benzylpyrazol-4-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide (CID 9092774) is (E)-3-(1-benzylpyrazol-4-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(1-benzylpyrazol-4-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(1-benzylpyrazol-4-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide is CCN(NC(=O)/C=C/c1cnn(Cc2ccccc2)c1)c1ccc(C)cc1.
What is the InChIKey of (E)-3-(1-benzylpyrazol-4-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide?
The InChIKey is QOVTWGFSJHKAGP-SDNWHVSQSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-26(21-12-9-18(2)10-13-21)24-22(27)14-11-20-15-23-25(17-20)16-19-7-5-4-6-8-19/h4-15,17H,3,16H2,1-2H3,(H,24,27)/b14-11+.
What are the key properties of (E)-3-(1-benzylpyrazol-4-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide?
(E)-3-(1-benzylpyrazol-4-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide has a molecular weight of 360.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzylpyrazol-4-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide is sourced from PubChem (CID 9092774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).