(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-(3-pyrazol-1-ylpiperidin-1-yl)prop-2-en-1-one

C25H24N6O — CID 86881858

IUPAC(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-(3-pyrazol-1-ylpiperidin-1-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCCC(n2cccn2)C1
InChIInChI=1S/C25H24N6O/c32-24(29-15-5-10-23(19-29)30-16-6-14-27-30)12-11-21-18-31(22-8-2-1-3-9-22)28-25(21)20-7-4-13-26-17-20/h1-4,6-9,11-14,16-18,23H,5,10,15,19H2/b12-11+
InChIKeyMCVFYSXBNGMNSX-VAWYXSNFSA-N
MW424.51 g/mol
LogP4.01
Rot. Bonds5

About (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-(3-pyrazol-1-ylpiperidin-1-yl)prop-2-en-1-one

(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-(3-pyrazol-1-ylpiperidin-1-yl)prop-2-en-1-one (PubChem CID 86881858) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-(3-pyrazol-1-ylpiperidin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-(3-pyrazol-1-ylpiperidin-1-yl)prop-2-en-1-one
PubChem CID86881858
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-(3-pyrazol-1-ylpiperidin-1-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCCC(n2cccn2)C1
InChIInChI=1S/C25H24N6O/c32-24(29-15-5-10-23(19-29)30-16-6-14-27-30)12-11-21-18-31(22-8-2-1-3-9-22)28-25(21)20-7-4-13-26-17-20/h1-4,6-9,11-14,16-18,23H,5,10,15,19H2/b12-11+
InChIKeyMCVFYSXBNGMNSX-VAWYXSNFSA-N
XLogP4.01
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-(3-pyrazol-1-ylpiperidin-1-yl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 31716696
(E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 55784205
(E)-3-(1,3-diphenylpyrazol-4-yl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)prop-2-en-1-one
CID 42921863
(E)-3-(1,3-diphenylpyrazol-4-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 55676240
N-cyclohexyl-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 4784426
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-pyridin-3-ylprop-2-enamide
CID 26592504
3-(1,3-diphenylpyrazol-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one
CID 44522290
1-(4-phenylphenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 2876111
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-thiophen-2-ylprop-2-en-1-one
CID 5337368
(E)-1-(3-hydroxyphenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 9448234
(E)-3-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854158
(E)-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 166379826

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-(3-pyrazol-1-ylpiperidin-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-(3-pyrazol-1-ylpiperidin-1-yl)prop-2-en-1-one (CID 86881858) is (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-(3-pyrazol-1-ylpiperidin-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-(3-pyrazol-1-ylpiperidin-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-(3-pyrazol-1-ylpiperidin-1-yl)prop-2-en-1-one is O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCCC(n2cccn2)C1.
What is the InChIKey of (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-(3-pyrazol-1-ylpiperidin-1-yl)prop-2-en-1-one?
The InChIKey is MCVFYSXBNGMNSX-VAWYXSNFSA-N. The full InChI is InChI=1S/C25H24N6O/c32-24(29-15-5-10-23(19-29)30-16-6-14-27-30)12-11-21-18-31(22-8-2-1-3-9-22)28-25(21)20-7-4-13-26-17-20/h1-4,6-9,11-14,16-18,23H,5,10,15,19H2/b12-11+.
What are the key properties of (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-(3-pyrazol-1-ylpiperidin-1-yl)prop-2-en-1-one?
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-(3-pyrazol-1-ylpiperidin-1-yl)prop-2-en-1-one has a molecular weight of 424.51 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-(3-pyrazol-1-ylpiperidin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 86881858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).