(3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole

C15H16N2O4S — CID 846208

IUPAC(3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
SMILESCOc1ccccc1C1=NN(S(C)(=O)=O)[C@H](c2ccco2)C1
InChIInChI=1S/C15H16N2O4S/c1-20-14-7-4-3-6-11(14)12-10-13(15-8-5-9-21-15)17(16-12)22(2,18)19/h3-9,13H,10H2,1-2H3/t13-/m0/s1
InChIKeyCSTUEDIVHVXHPA-ZDUSSCGKSA-N
MW320.37 g/mol
LogP2.40
Rot. Bonds4

About (3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole

(3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole (PubChem CID 846208) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is (3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
PubChem CID846208
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name(3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
SMILESCOc1ccccc1C1=NN(S(C)(=O)=O)[C@H](c2ccco2)C1
InChIInChI=1S/C15H16N2O4S/c1-20-14-7-4-3-6-11(14)12-10-13(15-8-5-9-21-15)17(16-12)22(2,18)19/h3-9,13H,10H2,1-2H3/t13-/m0/s1
InChIKeyCSTUEDIVHVXHPA-ZDUSSCGKSA-N
XLogP2.40
TPSA72.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 3153490
(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 846237
N-[2-[(3S)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 95789510
(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 7118368
[(3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
CID 7460424
N-[4-[(3S)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
CID 41168402
N-[4-[(3S)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 40819624
N-[3-[(3S)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
CID 1264833
3-(2,4-dimethoxyphenyl)-5-(2-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 86819958
(3R)-3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 100655454
3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 119038792
(3R)-5-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 97309764

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
The IUPAC name of (3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole (CID 846208) is (3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
The canonical SMILES for (3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole is COc1ccccc1C1=NN(S(C)(=O)=O)[C@H](c2ccco2)C1.
What is the InChIKey of (3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
The InChIKey is CSTUEDIVHVXHPA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-20-14-7-4-3-6-11(14)12-10-13(15-8-5-9-21-15)17(16-12)22(2,18)19/h3-9,13H,10H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
(3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole has a molecular weight of 320.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole is sourced from PubChem (CID 846208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).