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

C26H25N3O — CID 175921342

IUPAC(Z)-N,N-diethyl-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide
SMILESCCN(CC)C(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1
InChIInChI=1S/C26H25N3O/c1-3-28(4-2)25(30)17-16-23-19-29(24-12-6-5-7-13-24)27-26(23)22-15-14-20-10-8-9-11-21(20)18-22/h5-19H,3-4H2,1-2H3/b17-16-
InChIKeyGZXIZMLKYDOGQI-MSUUIHNZSA-N
MW395.51 g/mol
LogP5.57
Rot. Bonds6

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

(Z)-N,N-diethyl-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide (PubChem CID 175921342) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is (Z)-N,N-diethyl-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N,N-diethyl-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide
PubChem CID175921342
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name(Z)-N,N-diethyl-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide
SMILESCCN(CC)C(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1
InChIInChI=1S/C26H25N3O/c1-3-28(4-2)25(30)17-16-23-19-29(24-12-6-5-7-13-24)27-26(23)22-15-14-20-10-8-9-11-21(20)18-22/h5-19H,3-4H2,1-2H3/b17-16-
InChIKeyGZXIZMLKYDOGQI-MSUUIHNZSA-N
XLogP5.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 1340732
3-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N,N-diethylprop-2-enamide
CID 1322616
(Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one
CID 2423864
3-methyl-2-[[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]amino]butanoic acid
CID 175449834
(Z)-N-(3-acetylphenyl)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 174996487
(E)-N-butyl-N-ethyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 35744788
2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid
CID 20542687
methyl (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]amino]propanoate
CID 174996459
(Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid
CID 2282682
(E)-3-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid
CID 156700548
(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9227007
3-(1H-imidazol-5-yl)-2-[[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]amino]propanoic acid
CID 174998503

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-diethyl-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (Z)-N,N-diethyl-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide (CID 175921342) is (Z)-N,N-diethyl-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N,N-diethyl-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-N,N-diethyl-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide is CCN(CC)C(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1.
What is the InChIKey of (Z)-N,N-diethyl-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide?
The InChIKey is GZXIZMLKYDOGQI-MSUUIHNZSA-N. The full InChI is InChI=1S/C26H25N3O/c1-3-28(4-2)25(30)17-16-23-19-29(24-12-6-5-7-13-24)27-26(23)22-15-14-20-10-8-9-11-21(20)18-22/h5-19H,3-4H2,1-2H3/b17-16-.
What are the key properties of (Z)-N,N-diethyl-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide?
(Z)-N,N-diethyl-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide has a molecular weight of 395.51 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-diethyl-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 175921342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).