3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole

C18H20N2O4S — CID 122155650

IUPAC3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
SMILESCOc1cccc(C2=NN(S(C)(=O)=O)C(c3cccc(OC)c3)C2)c1
InChIInChI=1S/C18H20N2O4S/c1-23-15-8-4-6-13(10-15)17-12-18(20(19-17)25(3,21)22)14-7-5-9-16(11-14)24-2/h4-11,18H,12H2,1-3H3
InChIKeyPPTJPGSSBFHTFA-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.81
Rot. Bonds5

About 3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole

3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole (PubChem CID 122155650) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
PubChem CID122155650
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
SMILESCOc1cccc(C2=NN(S(C)(=O)=O)C(c3cccc(OC)c3)C2)c1
InChIInChI=1S/C18H20N2O4S/c1-23-15-8-4-6-13(10-15)17-12-18(20(19-17)25(3,21)22)14-7-5-9-16(11-14)24-2/h4-11,18H,12H2,1-3H3
InChIKeyPPTJPGSSBFHTFA-UHFFFAOYSA-N
XLogP2.81
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,5-dimethoxyphenyl)-3-(3-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 86820197
N-[4-[3-(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 71848048
(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
N-[3-[(3S)-2-ethylsulfonyl-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 96543170
5-(3,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 119038821
2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole
CID 2953116
3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 119038792
(3R)-3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 100655454
(3S)-5-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 100750434
(3S)-3-(3,5-dimethoxyphenyl)-5-(4-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 100654529
(3S)-5-(4-methoxyphenyl)-3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 703928

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
The IUPAC name of 3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole (CID 122155650) is 3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole.
What is the SMILES notation for 3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
The canonical SMILES for 3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole is COc1cccc(C2=NN(S(C)(=O)=O)C(c3cccc(OC)c3)C2)c1.
What is the InChIKey of 3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
The InChIKey is PPTJPGSSBFHTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-23-15-8-4-6-13(10-15)17-12-18(20(19-17)25(3,21)22)14-7-5-9-16(11-14)24-2/h4-11,18H,12H2,1-3H3.
What are the key properties of 3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole has a molecular weight of 360.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole is sourced from PubChem (CID 122155650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).