(E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide

C25H23N3O2 — CID 17457554

IUPAC(E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)o1
InChIInChI=1S/C25H23N3O2/c1-19-13-14-23(30-19)15-16-24(29)27(2)17-21-18-28(22-11-7-4-8-12-22)26-25(21)20-9-5-3-6-10-20/h3-16,18H,17H2,1-2H3/b16-15+
InChIKeyDKDYJCGJSWTVGT-FOCLMDBBSA-N
MW397.48 g/mol
LogP5.11
Rot. Bonds6

About (E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 17457554) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is (E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID17457554
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name(E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)o1
InChIInChI=1S/C25H23N3O2/c1-19-13-14-23(30-19)15-16-24(29)27(2)17-21-18-28(22-11-7-4-8-12-22)26-25(21)20-9-5-3-6-10-20/h3-16,18H,17H2,1-2H3/b16-15+
InChIKeyDKDYJCGJSWTVGT-FOCLMDBBSA-N
XLogP5.11
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.11
H-Bond Donors ≤ 50
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-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 9140775
(E)-3-(4-cyanophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylprop-2-enamide
CID 17457526
(E)-3-(3,4-dimethoxyphenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylprop-2-enamide
CID 39763774
(E)-N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-3-pyridin-4-ylprop-2-enamide
CID 39443747
N-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 713006
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,3-dimethylbut-2-enamide
CID 39736625
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
(3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41249351
(E)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 7779970
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,3-dimethylbenzamide
CID 18205415
3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78770992

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide (CID 17457554) is (E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)o1.
What is the InChIKey of (E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is DKDYJCGJSWTVGT-FOCLMDBBSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-19-13-14-23(30-19)15-16-24(29)27(2)17-21-18-28(22-11-7-4-8-12-22)26-25(21)20-9-5-3-6-10-20/h3-16,18H,17H2,1-2H3/b16-15+.
What are the key properties of (E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 397.48 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 17457554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).