3-(3,4-dimethoxyphenyl)-1-phenyl-4-[(3R)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]pyrazole

C30H26N4O2S — CID 41316765

IUPAC3-(3,4-dimethoxyphenyl)-1-phenyl-4-[(3R)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]pyrazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3cccs3)=NN2c2ccccc2)cc1OC
InChIInChI=1S/C30H26N4O2S/c1-35-27-16-15-21(18-28(27)36-2)30-24(20-33(32-30)22-10-5-3-6-11-22)26-19-25(29-14-9-17-37-29)31-34(26)23-12-7-4-8-13-23/h3-18,20,26H,19H2,1-2H3/t26-/m1/s1
InChIKeyOQTWUUQKUDIQCQ-AREMUKBSSA-N
MW506.63 g/mol
LogP6.97
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-1-phenyl-4-[(3R)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]pyrazole

3-(3,4-dimethoxyphenyl)-1-phenyl-4-[(3R)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]pyrazole (PubChem CID 41316765) has the molecular formula C30H26N4O2S and a molecular weight of 506.63 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1-phenyl-4-[(3R)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]pyrazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1-phenyl-4-[(3R)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]pyrazole
PubChem CID41316765
Molecular FormulaC30H26N4O2S
Molecular Weight506.63 g/mol
Exact Mass506.18
IUPAC Name3-(3,4-dimethoxyphenyl)-1-phenyl-4-[(3R)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]pyrazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3cccs3)=NN2c2ccccc2)cc1OC
InChIInChI=1S/C30H26N4O2S/c1-35-27-16-15-21(18-28(27)36-2)30-24(20-33(32-30)22-10-5-3-6-11-22)26-19-25(29-14-9-17-37-29)31-34(26)23-12-7-4-8-13-23/h3-18,20,26H,19H2,1-2H3/t26-/m1/s1
InChIKeyOQTWUUQKUDIQCQ-AREMUKBSSA-N
XLogP6.97
TPSA51.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.63
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(3,4-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 155812867
4-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-3-naphthalen-2-yl-1-phenylpyrazole
CID 25321666
4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-naphthalen-2-yl-1-phenylpyrazole
CID 3452431
5-[(3S)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 1410221
1-[(3R)-5-(4-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 41062939
(3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 7290384
4-[(3R)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1-phenyl-3-thiophen-2-ylpyrazole
CID 41062849
3-(4-fluorophenyl)-4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole
CID 71600462
methane;5-[3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid;4-[3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid;4-[3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid;5-[3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 158497388
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
2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 3106181

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1-phenyl-4-[(3R)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]pyrazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1-phenyl-4-[(3R)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]pyrazole (CID 41316765) is 3-(3,4-dimethoxyphenyl)-1-phenyl-4-[(3R)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]pyrazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1-phenyl-4-[(3R)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]pyrazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1-phenyl-4-[(3R)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]pyrazole is COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3cccs3)=NN2c2ccccc2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1-phenyl-4-[(3R)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]pyrazole?
The InChIKey is OQTWUUQKUDIQCQ-AREMUKBSSA-N. The full InChI is InChI=1S/C30H26N4O2S/c1-35-27-16-15-21(18-28(27)36-2)30-24(20-33(32-30)22-10-5-3-6-11-22)26-19-25(29-14-9-17-37-29)31-34(26)23-12-7-4-8-13-23/h3-18,20,26H,19H2,1-2H3/t26-/m1/s1.
What are the key properties of 3-(3,4-dimethoxyphenyl)-1-phenyl-4-[(3R)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]pyrazole?
3-(3,4-dimethoxyphenyl)-1-phenyl-4-[(3R)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]pyrazole has a molecular weight of 506.63 g/mol, XLogP of 6.97, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1-phenyl-4-[(3R)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]pyrazole is sourced from PubChem (CID 41316765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).