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

C15H16N2O2S2 — CID 97072215

IUPAC(3R)-3-(3-methylphenyl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole
SMILESCc1cccc([C@H]2CC(c3ccsc3)=NN2S(C)(=O)=O)c1
InChIInChI=1S/C15H16N2O2S2/c1-11-4-3-5-12(8-11)15-9-14(13-6-7-20-10-13)16-17(15)21(2,18)19/h3-8,10,15H,9H2,1-2H3/t15-/m1/s1
InChIKeyRMAGJQHHAITMKV-OAHLLOKOSA-N
MW320.44 g/mol
LogP3.17
Rot. Bonds3

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

(3R)-3-(3-methylphenyl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole (PubChem CID 97072215) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (3R)-3-(3-methylphenyl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-3-(3-methylphenyl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole
PubChem CID97072215
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC Name(3R)-3-(3-methylphenyl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole
SMILESCc1cccc([C@H]2CC(c3ccsc3)=NN2S(C)(=O)=O)c1
InChIInChI=1S/C15H16N2O2S2/c1-11-4-3-5-12(8-11)15-9-14(13-6-7-20-10-13)16-17(15)21(2,18)19/h3-8,10,15H,9H2,1-2H3/t15-/m1/s1
InChIKeyRMAGJQHHAITMKV-OAHLLOKOSA-N
XLogP3.17
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(3-fluorophenyl)-2-(4-methylphenyl)sulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole
CID 100750452
(3S)-5-(3-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 124740412
N-[2-[(3R)-3-(3-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 97072213
5-[(3R)-3-(3-methylphenyl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 99779640
2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole
CID 2953116
3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 122155650
N-[3-[2-(benzenesulfonyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 71847888
(3S)-3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 7480712
N-[3-[(3S)-3-(3-fluorophenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 7081247
5-(3,5-dimethoxyphenyl)-3-(3-ethoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 86820197
N-[3-[(3R)-3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 7081257
(3S)-5-(4-methoxyphenyl)-3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 703928

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methylphenyl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole?
The IUPAC name of (3R)-3-(3-methylphenyl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole (CID 97072215) is (3R)-3-(3-methylphenyl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-3-(3-methylphenyl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole?
The canonical SMILES for (3R)-3-(3-methylphenyl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole is Cc1cccc([C@H]2CC(c3ccsc3)=NN2S(C)(=O)=O)c1.
What is the InChIKey of (3R)-3-(3-methylphenyl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole?
The InChIKey is RMAGJQHHAITMKV-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c1-11-4-3-5-12(8-11)15-9-14(13-6-7-20-10-13)16-17(15)21(2,18)19/h3-8,10,15H,9H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-3-(3-methylphenyl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole?
(3R)-3-(3-methylphenyl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole has a molecular weight of 320.44 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methylphenyl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole is sourced from PubChem (CID 97072215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).