(Z)-N-(3-acetylphenyl)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide

C30H23N3O2 — CID 174996487

IUPAC(Z)-N-(3-acetylphenyl)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide
SMILESCC(=O)c1cccc(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)c1
InChIInChI=1S/C30H23N3O2/c1-21(34)23-10-7-11-27(19-23)31-29(35)17-16-26-20-33(28-12-3-2-4-13-28)32-30(26)25-15-14-22-8-5-6-9-24(22)18-25/h2-20H,1H3,(H,31,35)/b17-16-
InChIKeyAFGPYXUMBFAVQK-MSUUIHNZSA-N
MW457.53 g/mol
LogP6.55
Rot. Bonds6

About (Z)-N-(3-acetylphenyl)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide

(Z)-N-(3-acetylphenyl)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide (PubChem CID 174996487) has the molecular formula C30H23N3O2 and a molecular weight of 457.53 g/mol. Its IUPAC name is (Z)-N-(3-acetylphenyl)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-acetylphenyl)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide
PubChem CID174996487
Molecular FormulaC30H23N3O2
Molecular Weight457.53 g/mol
Exact Mass457.18
IUPAC Name(Z)-N-(3-acetylphenyl)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide
SMILESCC(=O)c1cccc(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)c1
InChIInChI=1S/C30H23N3O2/c1-21(34)23-10-7-11-27(19-23)31-29(35)17-16-26-20-33(28-12-3-2-4-13-28)32-30(26)25-15-14-22-8-5-6-9-24(22)18-25/h2-20H,1H3,(H,31,35)/b17-16-
InChIKeyAFGPYXUMBFAVQK-MSUUIHNZSA-N
XLogP6.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]prop-2-enamide
CID 18830607
3-[[(E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 32848328
3-methyl-2-[[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]amino]butanoic acid
CID 175449834
(E)-3-(1,3-diphenylpyrazol-4-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 27334682
(Z)-N,N-diethyl-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 175921342
(E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(3-sulfamoylphenyl)prop-2-enamide
CID 6235662
(Z)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide
CID 2423683
(E)-N-(3,5-dimethylphenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 2558829
(Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one
CID 2423864
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-pyridin-3-ylprop-2-enamide
CID 26592504
methyl 4-[3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoylamino]benzoate
CID 3313273
methyl (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]amino]propanoate
CID 174996459

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-acetylphenyl)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (Z)-N-(3-acetylphenyl)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide (CID 174996487) is (Z)-N-(3-acetylphenyl)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(3-acetylphenyl)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-(3-acetylphenyl)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide is CC(=O)c1cccc(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)c1.
What is the InChIKey of (Z)-N-(3-acetylphenyl)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide?
The InChIKey is AFGPYXUMBFAVQK-MSUUIHNZSA-N. The full InChI is InChI=1S/C30H23N3O2/c1-21(34)23-10-7-11-27(19-23)31-29(35)17-16-26-20-33(28-12-3-2-4-13-28)32-30(26)25-15-14-22-8-5-6-9-24(22)18-25/h2-20H,1H3,(H,31,35)/b17-16-.
What are the key properties of (Z)-N-(3-acetylphenyl)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide?
(Z)-N-(3-acetylphenyl)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide has a molecular weight of 457.53 g/mol, XLogP of 6.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-acetylphenyl)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 174996487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).