4-[(3R)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1-phenyl-3-thiophen-2-ylpyrazole

C24H22N4O3S2 — CID 41062849

IUPAC4-[(3R)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1-phenyl-3-thiophen-2-ylpyrazole
SMILESCOc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3cn(-c4ccccc4)nc3-c3cccs3)C2)c1
InChIInChI=1S/C24H22N4O3S2/c1-31-19-11-6-8-17(14-19)21-15-22(28(25-21)33(2,29)30)20-16-27(18-9-4-3-5-10-18)26-24(20)23-12-7-13-32-23/h3-14,16,22H,15H2,1-2H3/t22-/m1/s1
InChIKeyHEHPGDBXOMEETQ-JOCHJYFZSA-N
MW478.60 g/mol
LogP4.72
Rot. Bonds6

About 4-[(3R)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1-phenyl-3-thiophen-2-ylpyrazole

4-[(3R)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1-phenyl-3-thiophen-2-ylpyrazole (PubChem CID 41062849) has the molecular formula C24H22N4O3S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 4-[(3R)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1-phenyl-3-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name4-[(3R)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1-phenyl-3-thiophen-2-ylpyrazole
PubChem CID41062849
Molecular FormulaC24H22N4O3S2
Molecular Weight478.60 g/mol
Exact Mass478.11
IUPAC Name4-[(3R)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1-phenyl-3-thiophen-2-ylpyrazole
SMILESCOc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3cn(-c4ccccc4)nc3-c3cccs3)C2)c1
InChIInChI=1S/C24H22N4O3S2/c1-31-19-11-6-8-17(14-19)21-15-22(28(25-21)33(2,29)30)20-16-27(18-9-4-3-5-10-18)26-24(20)23-12-7-13-32-23/h3-14,16,22H,15H2,1-2H3/t22-/m1/s1
InChIKeyHEHPGDBXOMEETQ-JOCHJYFZSA-N
XLogP4.72
TPSA76.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
4-[(3R)-5-(2,4-dimethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1-phenyl-3-thiophen-3-ylpyrazole
CID 99801629
1-[(3R)-5-(4-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 41062939
3-(2,4-dimethoxyphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 71906206
4-[(3S)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole
CID 40989243
(3R)-3-(2-fluorophenyl)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 97063965
3-(2-fluorophenyl)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 71844513
3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 122155650
4-[5-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole
CID 119038156
2-[(3S)-3-(1,3-diphenylpyrazol-4-yl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenol
CID 136718223
2-[3-(1,3-diphenylpyrazol-4-yl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenol
CID 135656488

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1-phenyl-3-thiophen-2-ylpyrazole?
The IUPAC name of 4-[(3R)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1-phenyl-3-thiophen-2-ylpyrazole (CID 41062849) is 4-[(3R)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1-phenyl-3-thiophen-2-ylpyrazole.
What is the SMILES notation for 4-[(3R)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1-phenyl-3-thiophen-2-ylpyrazole?
The canonical SMILES for 4-[(3R)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1-phenyl-3-thiophen-2-ylpyrazole is COc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3cn(-c4ccccc4)nc3-c3cccs3)C2)c1.
What is the InChIKey of 4-[(3R)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1-phenyl-3-thiophen-2-ylpyrazole?
The InChIKey is HEHPGDBXOMEETQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H22N4O3S2/c1-31-19-11-6-8-17(14-19)21-15-22(28(25-21)33(2,29)30)20-16-27(18-9-4-3-5-10-18)26-24(20)23-12-7-13-32-23/h3-14,16,22H,15H2,1-2H3/t22-/m1/s1.
What are the key properties of 4-[(3R)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1-phenyl-3-thiophen-2-ylpyrazole?
4-[(3R)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1-phenyl-3-thiophen-2-ylpyrazole has a molecular weight of 478.60 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-5-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1-phenyl-3-thiophen-2-ylpyrazole is sourced from PubChem (CID 41062849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).