3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide

C19H27ClN4O3S — CID 110261321

IUPAC3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1
InChIInChI=1S/C19H27ClN4O3S/c1-3-23(4-2)28(25,26)24-10-8-15(14-24)19-13-17(21-22-19)9-11-27-18-7-5-6-16(20)12-18/h5-7,12-13,15H,3-4,8-11,14H2,1-2H3,(H,21,22)
InChIKeyYGXXGSTYSLGANG-UHFFFAOYSA-N
MW426.97 g/mol
LogP3.06
Rot. Bonds9

About 3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide

3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide (PubChem CID 110261321) has the molecular formula C19H27ClN4O3S and a molecular weight of 426.97 g/mol. Its IUPAC name is 3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide
PubChem CID110261321
Molecular FormulaC19H27ClN4O3S
Molecular Weight426.97 g/mol
Exact Mass426.15
IUPAC Name3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1
InChIInChI=1S/C19H27ClN4O3S/c1-3-23(4-2)28(25,26)24-10-8-15(14-24)19-13-17(21-22-19)9-11-27-18-7-5-6-16(20)12-18/h5-7,12-13,15H,3-4,8-11,14H2,1-2H3,(H,21,22)
InChIKeyYGXXGSTYSLGANG-UHFFFAOYSA-N
XLogP3.06
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.97
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide 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-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide
CID 95831439
(3R)-3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 95831432
4-[[(3R)-3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazole
CID 95831848
[(3R)-3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95831746
3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 110261314
[3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 110261375
1-[(3S)-3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95831473
[(3R)-3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95831640
[(3S)-3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone
CID 95831825
1-[(3R)-3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 95831815
(2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide
CID 124983011
3-(1-benzylsulfonylpyrrolidin-2-yl)-5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazole
CID 110267661

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide (CID 110261321) is 3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCC(c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1.
What is the InChIKey of 3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide?
The InChIKey is YGXXGSTYSLGANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O3S/c1-3-23(4-2)28(25,26)24-10-8-15(14-24)19-13-17(21-22-19)9-11-27-18-7-5-6-16(20)12-18/h5-7,12-13,15H,3-4,8-11,14H2,1-2H3,(H,21,22).
What are the key properties of 3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide?
3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide has a molecular weight of 426.97 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 110261321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).