4-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-3-naphthalen-2-yl-1-phenylpyrazole

C34H26N4 — CID 25321666

IUPAC4-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-3-naphthalen-2-yl-1-phenylpyrazole
SMILESc1ccc(C2=NN(c3ccccc3)[C@H](c3cn(-c4ccccc4)nc3-c3ccc4ccccc4c3)C2)cc1
InChIInChI=1S/C34H26N4/c1-4-13-26(14-5-1)32-23-33(38(35-32)30-18-8-3-9-19-30)31-24-37(29-16-6-2-7-17-29)36-34(31)28-21-20-25-12-10-11-15-27(25)22-28/h1-22,24,33H,23H2/t33-/m0/s1
InChIKeyJMVPDONMNFUPJF-XIFFEERXSA-N
MW490.61 g/mol
LogP8.05
Rot. Bonds5

About 4-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-3-naphthalen-2-yl-1-phenylpyrazole

4-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-3-naphthalen-2-yl-1-phenylpyrazole (PubChem CID 25321666) has the molecular formula C34H26N4 and a molecular weight of 490.61 g/mol. Its IUPAC name is 4-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-3-naphthalen-2-yl-1-phenylpyrazole.

Molecular Properties

Compound Name4-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-3-naphthalen-2-yl-1-phenylpyrazole
PubChem CID25321666
Molecular FormulaC34H26N4
Molecular Weight490.61 g/mol
Exact Mass490.22
IUPAC Name4-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-3-naphthalen-2-yl-1-phenylpyrazole
SMILESc1ccc(C2=NN(c3ccccc3)[C@H](c3cn(-c4ccccc4)nc3-c3ccc4ccccc4c3)C2)cc1
InChIInChI=1S/C34H26N4/c1-4-13-26(14-5-1)32-23-33(38(35-32)30-18-8-3-9-19-30)31-24-37(29-16-6-2-7-17-29)36-34(31)28-21-20-25-12-10-11-15-27(25)22-28/h1-22,24,33H,23H2/t33-/m0/s1
InChIKeyJMVPDONMNFUPJF-XIFFEERXSA-N
XLogP8.05
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-naphthalen-2-yl-1-phenylpyrazole
CID 3452431
3-(4-fluorophenyl)-4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole
CID 71600462
1-(4-bromophenyl)-4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-(4-methylphenyl)pyrazole
CID 118734047
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole
CID 3909065
3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzoic acid
CID 158065196
2-[5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 46497600
3-(3,4-dimethoxyphenyl)-1-phenyl-4-[(3R)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]pyrazole
CID 41316765
3-(3-methoxyphenyl)-4-[5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole
CID 16805041
3-(4-methoxyphenyl)-4-[(3S)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole
CID 40920525
2-[2-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine
CID 156612757
5-(4-methoxyphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525008
1-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]ethanone
CID 3653282

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-3-naphthalen-2-yl-1-phenylpyrazole?
The IUPAC name of 4-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-3-naphthalen-2-yl-1-phenylpyrazole (CID 25321666) is 4-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-3-naphthalen-2-yl-1-phenylpyrazole.
What is the SMILES notation for 4-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-3-naphthalen-2-yl-1-phenylpyrazole?
The canonical SMILES for 4-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-3-naphthalen-2-yl-1-phenylpyrazole is c1ccc(C2=NN(c3ccccc3)[C@H](c3cn(-c4ccccc4)nc3-c3ccc4ccccc4c3)C2)cc1.
What is the InChIKey of 4-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-3-naphthalen-2-yl-1-phenylpyrazole?
The InChIKey is JMVPDONMNFUPJF-XIFFEERXSA-N. The full InChI is InChI=1S/C34H26N4/c1-4-13-26(14-5-1)32-23-33(38(35-32)30-18-8-3-9-19-30)31-24-37(29-16-6-2-7-17-29)36-34(31)28-21-20-25-12-10-11-15-27(25)22-28/h1-22,24,33H,23H2/t33-/m0/s1.
What are the key properties of 4-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-3-naphthalen-2-yl-1-phenylpyrazole?
4-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-3-naphthalen-2-yl-1-phenylpyrazole has a molecular weight of 490.61 g/mol, XLogP of 8.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-3-naphthalen-2-yl-1-phenylpyrazole is sourced from PubChem (CID 25321666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).