(3R)-3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole

C19H22N2O4S — CID 100655454

IUPAC(3R)-3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
SMILESCOc1cc(OC)cc([C@H]2CC(c3ccccc3C)=NN2S(C)(=O)=O)c1
InChIInChI=1S/C19H22N2O4S/c1-13-7-5-6-8-17(13)18-12-19(21(20-18)26(4,22)23)14-9-15(24-2)11-16(10-14)25-3/h5-11,19H,12H2,1-4H3/t19-/m1/s1
InChIKeyLDUFHQCPMANMFH-LJQANCHMSA-N
MW374.46 g/mol
LogP3.12
Rot. Bonds5

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

(3R)-3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole (PubChem CID 100655454) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is (3R)-3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
PubChem CID100655454
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name(3R)-3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
SMILESCOc1cc(OC)cc([C@H]2CC(c3ccccc3C)=NN2S(C)(=O)=O)c1
InChIInChI=1S/C19H22N2O4S/c1-13-7-5-6-8-17(13)18-12-19(21(20-18)26(4,22)23)14-9-15(24-2)11-16(10-14)25-3/h5-11,19H,12H2,1-4H3/t19-/m1/s1
InChIKeyLDUFHQCPMANMFH-LJQANCHMSA-N
XLogP3.12
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 119038792
5-(3,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 119038821
(3R)-5-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 97309764
3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 122155650
(3S)-3-(3,5-dimethoxyphenyl)-5-(4-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 100654529
5-(2-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 119038816
5-(3,5-dimethoxyphenyl)-3-(3-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 86820197
(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
(3S)-5-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 100750434
2-[(3R)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 100660996
3-(2,4-dimethoxyphenyl)-5-(2-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 86819958

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
The IUPAC name of (3R)-3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole (CID 100655454) is (3R)-3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
The canonical SMILES for (3R)-3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole is COc1cc(OC)cc([C@H]2CC(c3ccccc3C)=NN2S(C)(=O)=O)c1.
What is the InChIKey of (3R)-3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
The InChIKey is LDUFHQCPMANMFH-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13-7-5-6-8-17(13)18-12-19(21(20-18)26(4,22)23)14-9-15(24-2)11-16(10-14)25-3/h5-11,19H,12H2,1-4H3/t19-/m1/s1.
What are the key properties of (3R)-3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole?
(3R)-3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole has a molecular weight of 374.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,5-dimethoxyphenyl)-5-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole is sourced from PubChem (CID 100655454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).