2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole

C25H23FN2O2 — CID 3112386

IUPAC2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole
SMILESCOc1ccc(C=CC2=NN(c3ccc(F)cc3)C(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C25H23FN2O2/c1-29-23-13-4-18(5-14-23)3-10-21-17-25(19-6-15-24(30-2)16-7-19)28(27-21)22-11-8-20(26)9-12-22/h3-16,25H,17H2,1-2H3
InChIKeyHVPVQZFSORQKMJ-UHFFFAOYSA-N
MW402.47 g/mol
LogP5.86
Rot. Bonds6

About 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole

2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole (PubChem CID 3112386) has the molecular formula C25H23FN2O2 and a molecular weight of 402.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole
PubChem CID3112386
Molecular FormulaC25H23FN2O2
Molecular Weight402.47 g/mol
Exact Mass402.17
IUPAC Name2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole
SMILESCOc1ccc(C=CC2=NN(c3ccc(F)cc3)C(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C25H23FN2O2/c1-29-23-13-4-18(5-14-23)3-10-21-17-25(19-6-15-24(30-2)16-7-19)28(27-21)22-11-8-20(26)9-12-22/h3-16,25H,17H2,1-2H3
InChIKeyHVPVQZFSORQKMJ-UHFFFAOYSA-N
XLogP5.86
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole with MolForge

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Related Compounds

(3S)-2-(3-fluorophenyl)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole
CID 92910023
(3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 92909932
3-(3,5-dimethoxyphenyl)-5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 67335414
(3S)-2-(3-fluorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
CID 7188125
2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3144804
(3R)-3-(4-chlorophenyl)-5-[(E)-2-(4-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 7329476
2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dihydropyrazole
CID 5110205
(E)-3-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 7349365
(3R)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazole
CID 7154940
(3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7482196
4-[5-[2-(4-tert-butylphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 69048476
3-(4-butylphenyl)-5-[2-(4-butylphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 54544845

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole?
The IUPAC name of 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole (CID 3112386) is 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole?
The canonical SMILES for 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole is COc1ccc(C=CC2=NN(c3ccc(F)cc3)C(c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole?
The InChIKey is HVPVQZFSORQKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O2/c1-29-23-13-4-18(5-14-23)3-10-21-17-25(19-6-15-24(30-2)16-7-19)28(27-21)22-11-8-20(26)9-12-22/h3-16,25H,17H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole?
2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole has a molecular weight of 402.47 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole is sourced from PubChem (CID 3112386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).