(E)-3-(furan-2-yl)-N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]prop-2-enamide

C35H25N3O3 — CID 18830607

IUPAC(E)-3-(furan-2-yl)-N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)c1
InChIInChI=1S/C35H25N3O3/c39-33(27-10-6-11-30(23-27)36-34(40)20-18-32-14-7-21-41-32)19-17-29-24-38(31-12-2-1-3-13-31)37-35(29)28-16-15-25-8-4-5-9-26(25)22-28/h1-24H,(H,36,40)/b19-17+,20-18+
InChIKeyVJVJXAWTMFMUST-XPWSMXQVSA-N
MW535.60 g/mol
LogP7.83
Rot. Bonds8

About (E)-3-(furan-2-yl)-N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]prop-2-enamide (PubChem CID 18830607) has the molecular formula C35H25N3O3 and a molecular weight of 535.60 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]prop-2-enamide
PubChem CID18830607
Molecular FormulaC35H25N3O3
Molecular Weight535.60 g/mol
Exact Mass535.19
IUPAC Name(E)-3-(furan-2-yl)-N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)c1
InChIInChI=1S/C35H25N3O3/c39-33(27-10-6-11-30(23-27)36-34(40)20-18-32-14-7-21-41-32)19-17-29-24-38(31-12-2-1-3-13-31)37-35(29)28-16-15-25-8-4-5-9-26(25)22-28/h1-24H,(H,36,40)/b19-17+,20-18+
InChIKeyVJVJXAWTMFMUST-XPWSMXQVSA-N
XLogP7.83
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.60
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(3-acetylphenyl)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 174996487
3-[[(E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 32848328
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204
(E)-3-(1,3-diphenylpyrazol-4-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 27334682
3-methyl-2-[[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]amino]butanoic acid
CID 175449834
(Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide
CID 2298805
(Z)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide
CID 2423683
N-[4-[(E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
CID 18830507
(Z)-N,N-diethyl-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 175921342
(E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(3-sulfamoylphenyl)prop-2-enamide
CID 6235662
(Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one
CID 2423864
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]prop-2-enamide (CID 18830607) is (E)-3-(furan-2-yl)-N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccco1)Nc1cccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)c1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]prop-2-enamide?
The InChIKey is VJVJXAWTMFMUST-XPWSMXQVSA-N. The full InChI is InChI=1S/C35H25N3O3/c39-33(27-10-6-11-30(23-27)36-34(40)20-18-32-14-7-21-41-32)19-17-29-24-38(31-12-2-1-3-13-31)37-35(29)28-16-15-25-8-4-5-9-26(25)22-28/h1-24H,(H,36,40)/b19-17+,20-18+.
What are the key properties of (E)-3-(furan-2-yl)-N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]prop-2-enamide has a molecular weight of 535.60 g/mol, XLogP of 7.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 18830607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).