(3R)-2-(benzenesulfonyl)-5-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazole

C25H26N2O6S — CID 97309678

IUPAC(3R)-2-(benzenesulfonyl)-5-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3cc(OC)ccc3OC)C2)c(OC)c1
InChIInChI=1S/C25H26N2O6S/c1-30-17-11-13-24(32-3)21(14-17)23-16-22(20-12-10-18(31-2)15-25(20)33-4)26-27(23)34(28,29)19-8-6-5-7-9-19/h5-15,23H,16H2,1-4H3/t23-/m1/s1
InChIKeyPNGMLRNAGVBMRN-HSZRJFAPSA-N
MW482.56 g/mol
LogP4.26
Rot. Bonds8

About (3R)-2-(benzenesulfonyl)-5-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazole

(3R)-2-(benzenesulfonyl)-5-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazole (PubChem CID 97309678) has the molecular formula C25H26N2O6S and a molecular weight of 482.56 g/mol. Its IUPAC name is (3R)-2-(benzenesulfonyl)-5-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-2-(benzenesulfonyl)-5-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazole
PubChem CID97309678
Molecular FormulaC25H26N2O6S
Molecular Weight482.56 g/mol
Exact Mass482.15
IUPAC Name(3R)-2-(benzenesulfonyl)-5-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3cc(OC)ccc3OC)C2)c(OC)c1
InChIInChI=1S/C25H26N2O6S/c1-30-17-11-13-24(32-3)21(14-17)23-16-22(20-12-10-18(31-2)15-25(20)33-4)26-27(23)34(28,29)19-8-6-5-7-9-19/h5-15,23H,16H2,1-4H3/t23-/m1/s1
InChIKeyPNGMLRNAGVBMRN-HSZRJFAPSA-N
XLogP4.26
TPSA86.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(benzenesulfonyl)-5-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole
CID 71844160
(3R)-5-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 97309764
3-(2,5-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 3704662
2-(benzenesulfonyl)-5-(2-chlorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole
CID 86807968
5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 4080985
(3R)-2-(benzenesulfonyl)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole
CID 7120948
(3S)-5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 124885990
3-(2,5-dimethoxyphenyl)-5-(3,5-dimethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 86820226
3-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 4309682
(3S)-2-(benzenesulfonyl)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole
CID 51471684
3-(2,4-dimethoxyphenyl)-5-(2-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 86819958
(3S)-5-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 100750434

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(benzenesulfonyl)-5-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazole?
The IUPAC name of (3R)-2-(benzenesulfonyl)-5-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazole (CID 97309678) is (3R)-2-(benzenesulfonyl)-5-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-2-(benzenesulfonyl)-5-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazole?
The canonical SMILES for (3R)-2-(benzenesulfonyl)-5-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazole is COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3cc(OC)ccc3OC)C2)c(OC)c1.
What is the InChIKey of (3R)-2-(benzenesulfonyl)-5-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazole?
The InChIKey is PNGMLRNAGVBMRN-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H26N2O6S/c1-30-17-11-13-24(32-3)21(14-17)23-16-22(20-12-10-18(31-2)15-25(20)33-4)26-27(23)34(28,29)19-8-6-5-7-9-19/h5-15,23H,16H2,1-4H3/t23-/m1/s1.
What are the key properties of (3R)-2-(benzenesulfonyl)-5-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazole?
(3R)-2-(benzenesulfonyl)-5-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazole has a molecular weight of 482.56 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(benzenesulfonyl)-5-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 97309678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).