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

C14H12Cl2N2O3S — CID 99801488

IUPAC(3R)-3-(3,4-dichlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole
SMILESCS(=O)(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O3S/c1-22(19,20)18-13(9-4-5-10(15)11(16)7-9)8-12(17-18)14-3-2-6-21-14/h2-7,13H,8H2,1H3/t13-/m1/s1
InChIKeyFULWRFDSAOWSJR-CYBMUJFWSA-N
MW359.23 g/mol
LogP3.70
Rot. Bonds3

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

(3R)-3-(3,4-dichlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole (PubChem CID 99801488) has the molecular formula C14H12Cl2N2O3S and a molecular weight of 359.23 g/mol. Its IUPAC name is (3R)-3-(3,4-dichlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-3-(3,4-dichlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole
PubChem CID99801488
Molecular FormulaC14H12Cl2N2O3S
Molecular Weight359.23 g/mol
Exact Mass357.99
IUPAC Name(3R)-3-(3,4-dichlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole
SMILESCS(=O)(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O3S/c1-22(19,20)18-13(9-4-5-10(15)11(16)7-9)8-12(17-18)14-3-2-6-21-14/h2-7,13H,8H2,1H3/t13-/m1/s1
InChIKeyFULWRFDSAOWSJR-CYBMUJFWSA-N
XLogP3.70
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(3,4-dichlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-(3-chlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 95975634
(3R)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 846221
2-chloro-3-[(3R)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-7-methylquinoline
CID 992005
2-(benzenesulfonyl)-5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazole
CID 71779702
3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 122155650
1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 86820159
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
2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole
CID 2953116
1-[5-(furan-2-yl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 53317215
(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 7118368
3-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 3838829

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,4-dichlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole?
The IUPAC name of (3R)-3-(3,4-dichlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole (CID 99801488) is (3R)-3-(3,4-dichlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-3-(3,4-dichlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole?
The canonical SMILES for (3R)-3-(3,4-dichlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole is CS(=O)(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3R)-3-(3,4-dichlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole?
The InChIKey is FULWRFDSAOWSJR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3S/c1-22(19,20)18-13(9-4-5-10(15)11(16)7-9)8-12(17-18)14-3-2-6-21-14/h2-7,13H,8H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-3-(3,4-dichlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole?
(3R)-3-(3,4-dichlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole has a molecular weight of 359.23 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,4-dichlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole is sourced from PubChem (CID 99801488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).