(3S)-2-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-3,4-dihydropyrazole

C17H17FN2O2S — CID 44632375

IUPAC(3S)-2-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-3,4-dihydropyrazole
SMILESCC1=NN(c2ccc(F)cc2)[C@H](c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C17H17FN2O2S/c1-12-11-17(13-3-9-16(10-4-13)23(2,21)22)20(19-12)15-7-5-14(18)6-8-15/h3-10,17H,11H2,1-2H3/t17-/m0/s1
InChIKeySEODHHAXPFOFOD-KRWDZBQOSA-N
MW332.40 g/mol
LogP3.56
Rot. Bonds3

About (3S)-2-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-3,4-dihydropyrazole

(3S)-2-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-3,4-dihydropyrazole (PubChem CID 44632375) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is (3S)-2-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-2-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-3,4-dihydropyrazole
PubChem CID44632375
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Name(3S)-2-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-3,4-dihydropyrazole
SMILESCC1=NN(c2ccc(F)cc2)[C@H](c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C17H17FN2O2S/c1-12-11-17(13-3-9-16(10-4-13)23(2,21)22)20(19-12)15-7-5-14(18)6-8-15/h3-10,17H,11H2,1-2H3/t17-/m0/s1
InChIKeySEODHHAXPFOFOD-KRWDZBQOSA-N
XLogP3.56
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole
CID 10134720
2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole
CID 135029399
3,5-bis(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 71408472
methyl 4-[(3R)-2-(4-fluorophenyl)-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]benzenesulfonate
CID 101190966
5-(4-methylphenyl)-1-(4-methylsulfonylphenyl)-4,5-dihydrotriazole
CID 11232303
(3R)-5-methyl-2,3-diphenyl-3,4-dihydropyrazole
CID 684236
3-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carbothioamide
CID 50906489
(3S)-3-(3-fluorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole
CID 102160988
5-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
CID 118855465
4-[3-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 127035964
5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole
CID 126842562
(3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole
CID 102160984

Frequently Asked Questions

What is the IUPAC name of (3S)-2-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-3,4-dihydropyrazole?
The IUPAC name of (3S)-2-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-3,4-dihydropyrazole (CID 44632375) is (3S)-2-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-2-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-3,4-dihydropyrazole?
The canonical SMILES for (3S)-2-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-3,4-dihydropyrazole is CC1=NN(c2ccc(F)cc2)[C@H](c2ccc(S(C)(=O)=O)cc2)C1.
What is the InChIKey of (3S)-2-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-3,4-dihydropyrazole?
The InChIKey is SEODHHAXPFOFOD-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c1-12-11-17(13-3-9-16(10-4-13)23(2,21)22)20(19-12)15-7-5-14(18)6-8-15/h3-10,17H,11H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-2-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-3,4-dihydropyrazole?
(3S)-2-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-3,4-dihydropyrazole has a molecular weight of 332.40 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 44632375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).