(3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole

C25H24N2O2 — CID 92909932

IUPAC(3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(/C=C\C2=NN(c3ccccc3)[C@H](c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C25H24N2O2/c1-28-23-14-9-19(10-15-23)8-13-21-18-25(20-11-16-24(29-2)17-12-20)27(26-21)22-6-4-3-5-7-22/h3-17,25H,18H2,1-2H3/b13-8-/t25-/m0/s1
InChIKeyUZCMWXUQALROOB-SXUJQFLNSA-N
MW384.48 g/mol
LogP5.72
Rot. Bonds6

About (3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole

(3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole (PubChem CID 92909932) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
PubChem CID92909932
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name(3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(/C=C\C2=NN(c3ccccc3)[C@H](c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C25H24N2O2/c1-28-23-14-9-19(10-15-23)8-13-21-18-25(20-11-16-24(29-2)17-12-20)27(26-21)22-6-4-3-5-7-22/h3-17,25H,18H2,1-2H3/b13-8-/t25-/m0/s1
InChIKeyUZCMWXUQALROOB-SXUJQFLNSA-N
XLogP5.72
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole
CID 3112386
(3S)-2-(3-fluorophenyl)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole
CID 92910023
3-(3,5-dimethoxyphenyl)-5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 67335414
(3R)-3-(4-chlorophenyl)-5-[(E)-2-(4-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 7329476
(E)-3-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 7349365
3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine
CID 133180239
3-(4-butylphenyl)-5-[2-(4-butylphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 54544845
4-[5-[2-(4-tert-butylphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 69048476
(3S)-2-(3-fluorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
CID 7188125
2-phenyl-5-[4-[(E)-2-[4-[(3S)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]ethenyl]phenyl]-1,3,4-oxadiazole
CID 98388512
(4R)-4-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 162811681
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline
CID 176837167

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of (3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole (CID 92909932) is (3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for (3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole is COc1ccc(/C=C\C2=NN(c3ccccc3)[C@H](c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of (3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole?
The InChIKey is UZCMWXUQALROOB-SXUJQFLNSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-28-23-14-9-19(10-15-23)8-13-21-18-25(20-11-16-24(29-2)17-12-20)27(26-21)22-6-4-3-5-7-22/h3-17,25H,18H2,1-2H3/b13-8-/t25-/m0/s1.
What are the key properties of (3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole?
(3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole has a molecular weight of 384.48 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 92909932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).