(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole

C14H13BrN2O3S — CID 7118368

IUPAC(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole
SMILESCS(=O)(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1
InChIInChI=1S/C14H13BrN2O3S/c1-21(18,19)17-13(14-3-2-8-20-14)9-12(16-17)10-4-6-11(15)7-5-10/h2-8,13H,9H2,1H3/t13-/m1/s1
InChIKeyOMJQUKNYIIZLEL-CYBMUJFWSA-N
MW369.24 g/mol
LogP3.15
Rot. Bonds3

About (3R)-5-(4-bromophenyl)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole

(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole (PubChem CID 7118368) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is (3R)-5-(4-bromophenyl)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole
PubChem CID7118368
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC Name(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole
SMILESCS(=O)(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1
InChIInChI=1S/C14H13BrN2O3S/c1-21(18,19)17-13(14-3-2-8-20-14)9-12(16-17)10-4-6-11(15)7-5-10/h2-8,13H,9H2,1H3/t13-/m1/s1
InChIKeyOMJQUKNYIIZLEL-CYBMUJFWSA-N
XLogP3.15
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-yl)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 3153490
(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 846237
N-[4-[(3S)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 40819624
N-[4-[(3S)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
CID 41168402
(3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 846208
N-[4-[2-ethylsulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 4061399
(4-bromophenyl)-[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone
CID 40971632
N-[3-[(3S)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
CID 1264833
(3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole
CID 7407875
[(3S)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 1039127
N-[2-[(3S)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 95789510
2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole
CID 2953116

Frequently Asked Questions

What is the IUPAC name of (3R)-5-(4-bromophenyl)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole?
The IUPAC name of (3R)-5-(4-bromophenyl)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole (CID 7118368) is (3R)-5-(4-bromophenyl)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-5-(4-bromophenyl)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole?
The canonical SMILES for (3R)-5-(4-bromophenyl)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole is CS(=O)(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1.
What is the InChIKey of (3R)-5-(4-bromophenyl)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole?
The InChIKey is OMJQUKNYIIZLEL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-21(18,19)17-13(14-3-2-8-20-14)9-12(16-17)10-4-6-11(15)7-5-10/h2-8,13H,9H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-5-(4-bromophenyl)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole?
(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole has a molecular weight of 369.24 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(4-bromophenyl)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole is sourced from PubChem (CID 7118368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).