(E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methylprop-2-enamide

C24H21N3O2 — CID 9140775

IUPAC(E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)/C=C/c1ccco1
InChIInChI=1S/C24H21N3O2/c1-26(23(28)15-14-22-13-8-16-29-22)17-20-18-27(21-11-6-3-7-12-21)25-24(20)19-9-4-2-5-10-19/h2-16,18H,17H2,1H3/b15-14+
InChIKeyVSGFLPWJJBCYEC-CCEZHUSRSA-N
MW383.45 g/mol
LogP4.80
Rot. Bonds6

About (E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methylprop-2-enamide

(E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methylprop-2-enamide (PubChem CID 9140775) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is (E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
PubChem CID9140775
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name(E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)/C=C/c1ccco1
InChIInChI=1S/C24H21N3O2/c1-26(23(28)15-14-22-13-8-16-29-22)17-20-18-27(21-11-6-3-7-12-21)25-24(20)19-9-4-2-5-10-19/h2-16,18H,17H2,1H3/b15-14+
InChIKeyVSGFLPWJJBCYEC-CCEZHUSRSA-N
XLogP4.80
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.80
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]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 17457554
(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
(E)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-(furan-2-yl)prop-2-enamide
CID 27173171
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,3-dimethylbut-2-enamide
CID 39736625
N-[1-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 55363692
N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 52669106
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
3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78770992
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 9140790

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methylprop-2-enamide?
The IUPAC name of (E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methylprop-2-enamide (CID 9140775) is (E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methylprop-2-enamide is CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methylprop-2-enamide?
The InChIKey is VSGFLPWJJBCYEC-CCEZHUSRSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-26(23(28)15-14-22-13-8-16-29-22)17-20-18-27(21-11-6-3-7-12-21)25-24(20)19-9-4-2-5-10-19/h2-16,18H,17H2,1H3/b15-14+.
What are the key properties of (E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methylprop-2-enamide?
(E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(furan-2-yl)-N-methylprop-2-enamide has a molecular weight of 383.45 g/mol, XLogP of 4.80, 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]-3-(furan-2-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 9140775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).