4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine

C39H31N3O — CID 98593755

IUPAC4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine
SMILESCOc1ccc(C2=NN(c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C39H31N3O/c1-43-35-23-19-31(20-24-35)38-27-39(32-15-9-4-10-16-32)42(41-38)34-21-17-28(18-22-34)33-25-36(29-11-5-2-6-12-29)40-37(26-33)30-13-7-3-8-14-30/h2-26,39H,27H2,1H3/t39-/m1/s1
InChIKeyJCRAUEPDBOXPRP-LDLOPFEMSA-N
MW557.70 g/mol
LogP9.45
Rot. Bonds7

About 4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine

4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine (PubChem CID 98593755) has the molecular formula C39H31N3O and a molecular weight of 557.70 g/mol. Its IUPAC name is 4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine
PubChem CID98593755
Molecular FormulaC39H31N3O
Molecular Weight557.70 g/mol
Exact Mass557.25
IUPAC Name4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine
SMILESCOc1ccc(C2=NN(c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C39H31N3O/c1-43-35-23-19-31(20-24-35)38-27-39(32-15-9-4-10-16-32)42(41-38)34-21-17-28(18-22-34)33-25-36(29-11-5-2-6-12-29)40-37(26-33)30-13-7-3-8-14-30/h2-26,39H,27H2,1H3/t39-/m1/s1
InChIKeyJCRAUEPDBOXPRP-LDLOPFEMSA-N
XLogP9.45
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.70
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine with MolForge

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Related Compounds

5-(4-methoxyphenyl)-3-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 11175276
5-(4-methoxyphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525008
2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine
CID 24807745
2-[(3S)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine
CID 139084202
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline
CID 176837167
3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46502755
(3S)-3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7277243
(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7380769
(3R)-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7431710
4-[2,3-bis(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzoic acid
CID 70518687
2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine
CID 92844911
(3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole
CID 26723226

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine (CID 98593755) is 4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine is COc1ccc(C2=NN(c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)[C@@H](c3ccccc3)C2)cc1.
What is the InChIKey of 4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine?
The InChIKey is JCRAUEPDBOXPRP-LDLOPFEMSA-N. The full InChI is InChI=1S/C39H31N3O/c1-43-35-23-19-31(20-24-35)38-27-39(32-15-9-4-10-16-32)42(41-38)34-21-17-28(18-22-34)33-25-36(29-11-5-2-6-12-29)40-37(26-33)30-13-7-3-8-14-30/h2-26,39H,27H2,1H3/t39-/m1/s1.
What are the key properties of 4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine?
4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine has a molecular weight of 557.70 g/mol, XLogP of 9.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 98593755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).