(E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide

C17H14N4O — CID 37217328

IUPAC(E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1ccncc1
InChIInChI=1S/C17H14N4O/c22-17(20-15-8-10-18-11-9-15)7-6-14-12-19-21(13-14)16-4-2-1-3-5-16/h1-13H,(H,18,20,22)/b7-6+
InChIKeyUXQFEYLEABHLJF-VOTSOKGWSA-N
MW290.33 g/mol
LogP2.92
Rot. Bonds4

About (E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide

(E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide (PubChem CID 37217328) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is (E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide
PubChem CID37217328
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name(E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1ccncc1
InChIInChI=1S/C17H14N4O/c22-17(20-15-8-10-18-11-9-15)7-6-14-12-19-21(13-14)16-4-2-1-3-5-16/h1-13H,(H,18,20,22)/b7-6+
InChIKeyUXQFEYLEABHLJF-VOTSOKGWSA-N
XLogP2.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.92
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)-N-(3-methylsulfanylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 9072683
(E)-N-(3-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 9070905
ethyl (E)-3-[4-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]prop-2-enoate
CID 27902755
(E)-3-(1-phenylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 55560332
(E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 46535526
(E)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 51099796
(E)-N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 60581339
(E)-N-[3-(1,3-dithiolan-2-yl)phenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 27163859
(E)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 8589933
(E)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55864211
(E)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55414815
(E)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 46635889

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide (CID 37217328) is (E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide is O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1ccncc1.
What is the InChIKey of (E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide?
The InChIKey is UXQFEYLEABHLJF-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H14N4O/c22-17(20-15-8-10-18-11-9-15)7-6-14-12-19-21(13-14)16-4-2-1-3-5-16/h1-13H,(H,18,20,22)/b7-6+.
What are the key properties of (E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide?
(E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide has a molecular weight of 290.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 37217328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).