5-[5-[(E)-2-(4-chlorophenyl)ethenyl]furan-2-yl]-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole

C25H19ClN2O2 — CID 14870885

IUPAC5-[5-[(E)-2-(4-chlorophenyl)ethenyl]furan-2-yl]-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole
SMILESClc1ccc(/C=C/c2ccc(C3=NN(c4ccccc4)C(c4ccco4)C3)o2)cc1
InChIInChI=1S/C25H19ClN2O2/c26-19-11-8-18(9-12-19)10-13-21-14-15-24(30-21)22-17-23(25-7-4-16-29-25)28(27-22)20-5-2-1-3-6-20/h1-16,23H,17H2/b13-10+
InChIKeyNGPNCZIWQKJZPL-JLHYYAGUSA-N
MW414.89 g/mol
LogP7.05
Rot. Bonds5

About 5-[5-[(E)-2-(4-chlorophenyl)ethenyl]furan-2-yl]-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole

5-[5-[(E)-2-(4-chlorophenyl)ethenyl]furan-2-yl]-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 14870885) has the molecular formula C25H19ClN2O2 and a molecular weight of 414.89 g/mol. Its IUPAC name is 5-[5-[(E)-2-(4-chlorophenyl)ethenyl]furan-2-yl]-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-[5-[(E)-2-(4-chlorophenyl)ethenyl]furan-2-yl]-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole
PubChem CID14870885
Molecular FormulaC25H19ClN2O2
Molecular Weight414.89 g/mol
Exact Mass414.11
IUPAC Name5-[5-[(E)-2-(4-chlorophenyl)ethenyl]furan-2-yl]-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole
SMILESClc1ccc(/C=C/c2ccc(C3=NN(c4ccccc4)C(c4ccco4)C3)o2)cc1
InChIInChI=1S/C25H19ClN2O2/c26-19-11-8-18(9-12-19)10-13-21-14-15-24(30-21)22-17-23(25-7-4-16-29-25)28(27-22)20-5-2-1-3-6-20/h1-16,23H,17H2/b13-10+
InChIKeyNGPNCZIWQKJZPL-JLHYYAGUSA-N
XLogP7.05
TPSA41.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.89
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[5-[(E)-2-(4-chlorophenyl)ethenyl]furan-2-yl]-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole with MolForge

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Related Compounds

(3R)-3-(furan-2-yl)-5-[(E)-2-(furan-2-yl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 898950
3-(4-chlorophenyl)-5-(5-methylfuran-2-yl)-2-phenyl-3,4-dihydropyrazole
CID 56950413
(3S)-3-(furan-2-yl)-5-[(Z)-2-(4-nitrophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 99901379
4-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one
CID 86807981
3-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one
CID 5115349
(3R)-3-(4-chlorophenyl)-5-[(E)-2-(4-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 7329476
2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 3488545
(3R)-3-(furan-2-yl)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole
CID 95989229
6-chloro-2-[3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 3426398
5-(furan-2-yl)-3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 171349522
4-(4-chlorophenyl)-2-[(3R)-5-(2,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]quinazoline
CID 99797602
5-tert-butyl-1-[4-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]triazole
CID 5021333

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(E)-2-(4-chlorophenyl)ethenyl]furan-2-yl]-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-[5-[(E)-2-(4-chlorophenyl)ethenyl]furan-2-yl]-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole (CID 14870885) is 5-[5-[(E)-2-(4-chlorophenyl)ethenyl]furan-2-yl]-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-[5-[(E)-2-(4-chlorophenyl)ethenyl]furan-2-yl]-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-[5-[(E)-2-(4-chlorophenyl)ethenyl]furan-2-yl]-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole is Clc1ccc(/C=C/c2ccc(C3=NN(c4ccccc4)C(c4ccco4)C3)o2)cc1.
What is the InChIKey of 5-[5-[(E)-2-(4-chlorophenyl)ethenyl]furan-2-yl]-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is NGPNCZIWQKJZPL-JLHYYAGUSA-N. The full InChI is InChI=1S/C25H19ClN2O2/c26-19-11-8-18(9-12-19)10-13-21-14-15-24(30-21)22-17-23(25-7-4-16-29-25)28(27-22)20-5-2-1-3-6-20/h1-16,23H,17H2/b13-10+.
What are the key properties of 5-[5-[(E)-2-(4-chlorophenyl)ethenyl]furan-2-yl]-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole?
5-[5-[(E)-2-(4-chlorophenyl)ethenyl]furan-2-yl]-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 414.89 g/mol, XLogP of 7.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(E)-2-(4-chlorophenyl)ethenyl]furan-2-yl]-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 14870885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).