(E)-3-(1-benzylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide

C23H19N3O — CID 9072850

IUPAC(E)-3-(1-benzylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnn(Cc2ccccc2)c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H19N3O/c27-23(25-22-12-11-20-8-4-5-9-21(20)14-22)13-10-19-15-24-26(17-19)16-18-6-2-1-3-7-18/h1-15,17H,16H2,(H,25,27)/b13-10+
InChIKeyPKFQNNSPZOLVNA-JLHYYAGUSA-N
MW353.43 g/mol
LogP4.74
Rot. Bonds5

About (E)-3-(1-benzylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide

(E)-3-(1-benzylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide (PubChem CID 9072850) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is (E)-3-(1-benzylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-benzylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide
PubChem CID9072850
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name(E)-3-(1-benzylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnn(Cc2ccccc2)c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H19N3O/c27-23(25-22-12-11-20-8-4-5-9-21(20)14-22)13-10-19-15-24-26(17-19)16-18-6-2-1-3-7-18/h1-15,17H,16H2,(H,25,27)/b13-10+
InChIKeyPKFQNNSPZOLVNA-JLHYYAGUSA-N
XLogP4.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
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-(1-benzylpyrazol-4-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide
CID 9085552
(E)-3-(1-benzylpyrazol-4-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
CID 9072581
methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate
CID 83765807
(E)-3-(1-benzylpyrazol-4-yl)-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 9073393
(E)-N-(1-benzylpyrazol-4-yl)-3-(3-nitrophenyl)prop-2-enamide
CID 19395743
(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
[(2S)-2-[[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938341
(E)-3-(1-benzylpyrazol-4-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide
CID 9092774
(E)-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19338188
(E)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-ol
CID 131238869
N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
CID 3594199

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide?
The IUPAC name of (E)-3-(1-benzylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide (CID 9072850) is (E)-3-(1-benzylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(1-benzylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide?
The canonical SMILES for (E)-3-(1-benzylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide is O=C(/C=C/c1cnn(Cc2ccccc2)c1)Nc1ccc2ccccc2c1.
What is the InChIKey of (E)-3-(1-benzylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide?
The InChIKey is PKFQNNSPZOLVNA-JLHYYAGUSA-N. The full InChI is InChI=1S/C23H19N3O/c27-23(25-22-12-11-20-8-4-5-9-21(20)14-22)13-10-19-15-24-26(17-19)16-18-6-2-1-3-7-18/h1-15,17H,16H2,(H,25,27)/b13-10+.
What are the key properties of (E)-3-(1-benzylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide?
(E)-3-(1-benzylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide has a molecular weight of 353.43 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide is sourced from PubChem (CID 9072850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).