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

C25H24N2O2 — CID 162811681

IUPAC(4R)-4-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(C=CC2=NN(c3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H24N2O2/c1-28-22-13-8-19(9-14-22)10-17-25-24(20-11-15-23(29-2)16-12-20)18-27(26-25)21-6-4-3-5-7-21/h3-17,24H,18H2,1-2H3/t24-/m0/s1
InChIKeyNYRCJDMXTDZYIB-DEOSSOPVSA-N
MW384.48 g/mol
LogP5.38
Rot. Bonds6

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

(4R)-4-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole (PubChem CID 162811681) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (4R)-4-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(4R)-4-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
PubChem CID162811681
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name(4R)-4-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(C=CC2=NN(c3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H24N2O2/c1-28-22-13-8-19(9-14-22)10-17-25-24(20-11-15-23(29-2)16-12-20)18-27(26-25)21-6-4-3-5-7-21/h3-17,24H,18H2,1-2H3/t24-/m0/s1
InChIKeyNYRCJDMXTDZYIB-DEOSSOPVSA-N
XLogP5.38
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 ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 92909932
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(3S)-2-(3-fluorophenyl)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole
CID 92910023
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
N-methoxy-N-methyl-2,4-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 59664786
(4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine
CID 10961096
3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine
CID 133180239
2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole
CID 3112386
1-methoxy-4-[5-phenyl-3-[(E)-2-phenylethenyl]cyclopent-2-en-1-yl]benzene
CID 135006642
1-methoxy-4-prop-1-enylbenzene
CID 67322568
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
2-[(Z)-2-(4-methoxyphenyl)ethenyl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine
CID 92532273

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of (4R)-4-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole (CID 162811681) is (4R)-4-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for (4R)-4-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for (4R)-4-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole is COc1ccc(C=CC2=NN(c3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1.
What is the InChIKey of (4R)-4-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole?
The InChIKey is NYRCJDMXTDZYIB-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-28-22-13-8-19(9-14-22)10-17-25-24(20-11-15-23(29-2)16-12-20)18-27(26-25)21-6-4-3-5-7-21/h3-17,24H,18H2,1-2H3/t24-/m0/s1.
What are the key properties of (4R)-4-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole?
(4R)-4-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole has a molecular weight of 384.48 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 162811681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).