2-methoxy-5-[3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenol

C18H20N2O4S — CID 86807231

IUPAC2-methoxy-5-[3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenol
SMILESCOc1ccc(C2=NN(S(C)(=O)=O)C(c3ccc(C)cc3)C2)cc1O
InChIInChI=1S/C18H20N2O4S/c1-12-4-6-13(7-5-12)16-11-15(19-20(16)25(3,22)23)14-8-9-18(24-2)17(21)10-14/h4-10,16,21H,11H2,1-3H3
InChIKeyMRFSYIZPYCKFNF-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.82
Rot. Bonds4

About 2-methoxy-5-[3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenol

2-methoxy-5-[3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenol (PubChem CID 86807231) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-methoxy-5-[3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenol
PubChem CID86807231
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-methoxy-5-[3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenol
SMILESCOc1ccc(C2=NN(S(C)(=O)=O)C(c3ccc(C)cc3)C2)cc1O
InChIInChI=1S/C18H20N2O4S/c1-12-4-6-13(7-5-12)16-11-15(19-20(16)25(3,22)23)14-8-9-18(24-2)17(21)10-14/h4-10,16,21H,11H2,1-3H3
InChIKeyMRFSYIZPYCKFNF-UHFFFAOYSA-N
XLogP2.82
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-5-(4-methoxyphenyl)-3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 703928
(3R)-5-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 124739055
5-(3,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 119038821
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 3313964
(3R)-3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 703901
(3S)-5-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)-2-(2-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 124884753
3-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 86819979
(3R)-3-(2,4-dimethoxyphenyl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 99797660
N-[4-[(3R)-3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 7081210
3-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 3838829
N-[3-[(3R)-3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 7081257
2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole
CID 4963246

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenol?
The IUPAC name of 2-methoxy-5-[3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenol (CID 86807231) is 2-methoxy-5-[3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenol?
The canonical SMILES for 2-methoxy-5-[3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenol is COc1ccc(C2=NN(S(C)(=O)=O)C(c3ccc(C)cc3)C2)cc1O.
What is the InChIKey of 2-methoxy-5-[3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenol?
The InChIKey is MRFSYIZPYCKFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-12-4-6-13(7-5-12)16-11-15(19-20(16)25(3,22)23)14-8-9-18(24-2)17(21)10-14/h4-10,16,21H,11H2,1-3H3.
What are the key properties of 2-methoxy-5-[3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenol?
2-methoxy-5-[3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenol has a molecular weight of 360.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenol is sourced from PubChem (CID 86807231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).