3-(1-benzylsulfonylpyrrolidin-2-yl)-5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazole

C22H24ClN3O3S — CID 110267661

IUPAC3-(1-benzylsulfonylpyrrolidin-2-yl)-5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazole
SMILESO=S(=O)(Cc1ccccc1)N1CCCC1c1cc(CCOc2cccc(Cl)c2)[nH]n1
InChIInChI=1S/C22H24ClN3O3S/c23-18-8-4-9-20(14-18)29-13-11-19-15-21(25-24-19)22-10-5-12-26(22)30(27,28)16-17-6-2-1-3-7-17/h1-4,6-9,14-15,22H,5,10-13,16H2,(H,24,25)
InChIKeyHWXAYBOTHKDARM-UHFFFAOYSA-N
MW445.97 g/mol
LogP4.35
Rot. Bonds8

About 3-(1-benzylsulfonylpyrrolidin-2-yl)-5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazole

3-(1-benzylsulfonylpyrrolidin-2-yl)-5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazole (PubChem CID 110267661) has the molecular formula C22H24ClN3O3S and a molecular weight of 445.97 g/mol. Its IUPAC name is 3-(1-benzylsulfonylpyrrolidin-2-yl)-5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazole.

Molecular Properties

Compound Name3-(1-benzylsulfonylpyrrolidin-2-yl)-5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazole
PubChem CID110267661
Molecular FormulaC22H24ClN3O3S
Molecular Weight445.97 g/mol
Exact Mass445.12
IUPAC Name3-(1-benzylsulfonylpyrrolidin-2-yl)-5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazole
SMILESO=S(=O)(Cc1ccccc1)N1CCCC1c1cc(CCOc2cccc(Cl)c2)[nH]n1
InChIInChI=1S/C22H24ClN3O3S/c23-18-8-4-9-20(14-18)29-13-11-19-15-21(25-24-19)22-10-5-12-26(22)30(27,28)16-17-6-2-1-3-7-17/h1-4,6-9,14-15,22H,5,10-13,16H2,(H,24,25)
InChIKeyHWXAYBOTHKDARM-UHFFFAOYSA-N
XLogP4.35
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.97
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-benzylsulfonylpyrrolidin-2-yl)-5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazole 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

2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine
CID 110096230
3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-diethylpyrrolidine-1-sulfonamide
CID 110261321
2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine
CID 110871726
[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
3-[[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
CID 110267631
5-(1-benzylsulfonylpyrrolidin-2-yl)-1H-imidazole-4-carboxylic acid
CID 20718937
3-(1-benzylsulfonylpyrrolidin-2-yl)-5-ethyl-1H-1,2,4-triazole
CID 87052072
[(3R)-3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95831746
1-[(3R)-3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 95831815
5-[2-(3-fluorophenoxy)ethyl]-3-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole
CID 110261272
5-(1-benzylsulfonylpyrrolidin-2-yl)-4-methyl-1H-pyrazole
CID 110257003

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylsulfonylpyrrolidin-2-yl)-5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazole?
The IUPAC name of 3-(1-benzylsulfonylpyrrolidin-2-yl)-5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazole (CID 110267661) is 3-(1-benzylsulfonylpyrrolidin-2-yl)-5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazole.
What is the SMILES notation for 3-(1-benzylsulfonylpyrrolidin-2-yl)-5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazole?
The canonical SMILES for 3-(1-benzylsulfonylpyrrolidin-2-yl)-5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazole is O=S(=O)(Cc1ccccc1)N1CCCC1c1cc(CCOc2cccc(Cl)c2)[nH]n1.
What is the InChIKey of 3-(1-benzylsulfonylpyrrolidin-2-yl)-5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazole?
The InChIKey is HWXAYBOTHKDARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3S/c23-18-8-4-9-20(14-18)29-13-11-19-15-21(25-24-19)22-10-5-12-26(22)30(27,28)16-17-6-2-1-3-7-17/h1-4,6-9,14-15,22H,5,10-13,16H2,(H,24,25).
What are the key properties of 3-(1-benzylsulfonylpyrrolidin-2-yl)-5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazole?
3-(1-benzylsulfonylpyrrolidin-2-yl)-5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazole has a molecular weight of 445.97 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylsulfonylpyrrolidin-2-yl)-5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazole is sourced from PubChem (CID 110267661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).