(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]prop-2-enamide

C24H24N6O2 — CID 56547468

IUPAC(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]prop-2-enamide
SMILESCc1nc(C(C)(C)NC(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)no1
InChIInChI=1S/C24H24N6O2/c1-17-26-23(29-32-17)24(2,3)27-21(31)12-11-20-16-30(15-18-8-5-4-6-9-18)28-22(20)19-10-7-13-25-14-19/h4-14,16H,15H2,1-3H3,(H,27,31)/b12-11+
InChIKeyRCNUFWDRGDIYFG-VAWYXSNFSA-N
MW428.50 g/mol
LogP3.75
Rot. Bonds7

About (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]prop-2-enamide

(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]prop-2-enamide (PubChem CID 56547468) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]prop-2-enamide
PubChem CID56547468
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]prop-2-enamide
SMILESCc1nc(C(C)(C)NC(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)no1
InChIInChI=1S/C24H24N6O2/c1-17-26-23(29-32-17)24(2,3)27-21(31)12-11-20-16-30(15-18-8-5-4-6-9-18)28-22(20)19-10-7-13-25-14-19/h4-14,16H,15H2,1-3H3,(H,27,31)/b12-11+
InChIKeyRCNUFWDRGDIYFG-VAWYXSNFSA-N
XLogP3.75
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]prop-2-enamide with MolForge

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Related Compounds

(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-pentan-3-ylprop-2-enamide
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(E)-N-(3-acetamido-2-methylphenyl)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 24673571
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-1-(4-tert-butylphenyl)prop-2-en-1-one
CID 7967109
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-ethyl-N-methylprop-2-enamide
CID 134005696
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(2R)-1-methoxypropan-2-yl]prop-2-enamide
CID 52892746
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-methylsulfanylphenyl)prop-2-enamide
CID 37289245
3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(4-methylsulfonylphenyl)methyl]prop-2-enamide
CID 76867642
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 7947167
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(2-methoxy-4-pyridinyl)methyl]prop-2-enamide
CID 55531614
N'-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]-2-fluorobenzohydrazide
CID 31304372
N-(5-acetamido-2-chlorophenyl)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 55915697

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]prop-2-enamide (CID 56547468) is (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]prop-2-enamide is Cc1nc(C(C)(C)NC(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)no1.
What is the InChIKey of (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]prop-2-enamide?
The InChIKey is RCNUFWDRGDIYFG-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-17-26-23(29-32-17)24(2,3)27-21(31)12-11-20-16-30(15-18-8-5-4-6-9-18)28-22(20)19-10-7-13-25-14-19/h4-14,16H,15H2,1-3H3,(H,27,31)/b12-11+.
What are the key properties of (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]prop-2-enamide?
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]prop-2-enamide has a molecular weight of 428.50 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]prop-2-enamide is sourced from PubChem (CID 56547468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).