(3R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3-dihydropyrazole

C25H23ClN2O2 — CID 6999409

IUPAC(3R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3-dihydropyrazole
SMILESCOc1ccc(C=CC2=C[C@H](c3ccc(OC)cc3)N(c3ccccc3Cl)N2)cc1
InChIInChI=1S/C25H23ClN2O2/c1-29-21-13-8-18(9-14-21)7-12-20-17-25(19-10-15-22(30-2)16-11-19)28(27-20)24-6-4-3-5-23(24)26/h3-17,25,27H,1-2H3/t25-/m1/s1
InChIKeyUMSHPQBYXKAFHJ-RUZDIDTESA-N
MW418.92 g/mol
LogP6.02
Rot. Bonds6

About (3R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3-dihydropyrazole

(3R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3-dihydropyrazole (PubChem CID 6999409) has the molecular formula C25H23ClN2O2 and a molecular weight of 418.92 g/mol. Its IUPAC name is (3R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3-dihydropyrazole.

Molecular Properties

Compound Name(3R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3-dihydropyrazole
PubChem CID6999409
Molecular FormulaC25H23ClN2O2
Molecular Weight418.92 g/mol
Exact Mass418.14
IUPAC Name(3R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3-dihydropyrazole
SMILESCOc1ccc(C=CC2=C[C@H](c3ccc(OC)cc3)N(c3ccccc3Cl)N2)cc1
InChIInChI=1S/C25H23ClN2O2/c1-29-21-13-8-18(9-14-21)7-12-20-17-25(19-10-15-22(30-2)16-11-19)28(27-20)24-6-4-3-5-23(24)26/h3-17,25,27H,1-2H3/t25-/m1/s1
InChIKeyUMSHPQBYXKAFHJ-RUZDIDTESA-N
XLogP6.02
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.92
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-2-phenyl-1,3-dihydropyrazol-5-yl]ethenyl]-2-phenyl-1,3-dihydropyrazole
CID 139625776
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
2-chloro-N-[[4-[3-phenyl-5-(2-phenylethenyl)-1,3-dihydropyrazol-2-yl]phenyl]methylideneamino]benzamide
CID 4518561
(7S)-5-(2-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2095266
6-[2-(4-methoxyphenyl)ethenyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 171573707
1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 122615244
1,3-dichloro-5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 125465485
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
(3S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453358
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
N,N-diethyl-4-[2-[3-[2-(4-methoxyphenyl)ethenyl]-2-methyl-1,3-dihydropyrazol-5-yl]ethenyl]aniline
CID 70424229
(5E)-1-(3-chloro-2-methylphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 126237272

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3-dihydropyrazole?
The IUPAC name of (3R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3-dihydropyrazole (CID 6999409) is (3R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3-dihydropyrazole.
What is the SMILES notation for (3R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3-dihydropyrazole?
The canonical SMILES for (3R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3-dihydropyrazole is COc1ccc(C=CC2=C[C@H](c3ccc(OC)cc3)N(c3ccccc3Cl)N2)cc1.
What is the InChIKey of (3R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3-dihydropyrazole?
The InChIKey is UMSHPQBYXKAFHJ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H23ClN2O2/c1-29-21-13-8-18(9-14-21)7-12-20-17-25(19-10-15-22(30-2)16-11-19)28(27-20)24-6-4-3-5-23(24)26/h3-17,25,27H,1-2H3/t25-/m1/s1.
What are the key properties of (3R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3-dihydropyrazole?
(3R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3-dihydropyrazole has a molecular weight of 418.92 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3-dihydropyrazole is sourced from PubChem (CID 6999409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).