(Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide

C29H20N4O — CID 18807337

IUPAC(Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide
SMILESN#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C29H20N4O/c30-19-24(29(34)31-26-16-15-21-9-7-8-12-23(21)18-26)17-25-20-33(27-13-5-2-6-14-27)32-28(25)22-10-3-1-4-11-22/h1-18,20H,(H,31,34)/b24-17-
InChIKeyGPDVWRFFBQVPSD-ULJHMMPZSA-N
MW440.51 g/mol
LogP6.24
Rot. Bonds5

About (Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide

(Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide (PubChem CID 18807337) has the molecular formula C29H20N4O and a molecular weight of 440.51 g/mol. Its IUPAC name is (Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide
PubChem CID18807337
Molecular FormulaC29H20N4O
Molecular Weight440.51 g/mol
Exact Mass440.16
IUPAC Name(Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide
SMILESN#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C29H20N4O/c30-19-24(29(34)31-26-16-15-21-9-7-8-12-23(21)18-26)17-25-20-33(27-13-5-2-6-14-27)32-28(25)22-10-3-1-4-11-22/h1-18,20H,(H,31,34)/b24-17-
InChIKeyGPDVWRFFBQVPSD-ULJHMMPZSA-N
XLogP6.24
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 6197113
(E)-2-cyano-N-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide
CID 78814569
(E)-2-cyano-N-(4-fluorophenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide
CID 9030034
(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CID 44885504
(E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(3-nitrophenyl)prop-2-enamide
CID 6196231
2-cyano-3-[3-(3-ethoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)prop-2-enamide
CID 4700178
(Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2688371
(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2688370
(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate
CID 2345073
(E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-naphthalen-1-ylprop-2-enamide
CID 6299761
(Z)-2-cyano-3-[3-[3-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)prop-2-enamide
CID 18806526
(Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide
CID 17384864

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide (CID 18807337) is (Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide is N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of (Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide?
The InChIKey is GPDVWRFFBQVPSD-ULJHMMPZSA-N. The full InChI is InChI=1S/C29H20N4O/c30-19-24(29(34)31-26-16-15-21-9-7-8-12-23(21)18-26)17-25-20-33(27-13-5-2-6-14-27)32-28(25)22-10-3-1-4-11-22/h1-18,20H,(H,31,34)/b24-17-.
What are the key properties of (Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide?
(Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide has a molecular weight of 440.51 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide is sourced from PubChem (CID 18807337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).