(4-pyrazol-1-ylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

C24H27N3O4S — CID 55396668

IUPAC(4-pyrazol-1-ylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)OCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C24H27N3O4S/c28-24(31-19-21-5-10-22(11-6-21)27-18-4-15-25-27)14-9-20-7-12-23(13-8-20)32(29,30)26-16-2-1-3-17-26/h4-8,10-13,15,18H,1-3,9,14,16-17,19H2
InChIKeyZTFPPJXDBQDKCI-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.72
Rot. Bonds8

About (4-pyrazol-1-ylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

(4-pyrazol-1-ylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate (PubChem CID 55396668) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is (4-pyrazol-1-ylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate.

Molecular Properties

Compound Name(4-pyrazol-1-ylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
PubChem CID55396668
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name(4-pyrazol-1-ylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)OCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C24H27N3O4S/c28-24(31-19-21-5-10-22(11-6-21)27-18-4-15-25-27)14-9-20-7-12-23(13-8-20)32(29,30)26-16-2-1-3-17-26/h4-8,10-13,15,18H,1-3,9,14,16-17,19H2
InChIKeyZTFPPJXDBQDKCI-UHFFFAOYSA-N
XLogP3.72
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-pyrazol-1-ylphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 46514071
(2-methoxyphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 8789866
[(E)-but-2-enyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate
CID 55475357
ethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate
CID 45491519
(4-pyrazol-1-ylphenyl)methyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate
CID 75675470
(4-methylphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 7824832
1-(4-fluorophenyl)sulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide
CID 46521389
1-(4-methylphenyl)sulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 41412986
sodium 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 23692705
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate
CID 42988742
N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55819755
2-(4-chlorophenoxy)ethyl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate
CID 38130843

Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-ylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate?
The IUPAC name of (4-pyrazol-1-ylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate (CID 55396668) is (4-pyrazol-1-ylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate.
What is the SMILES notation for (4-pyrazol-1-ylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate?
The canonical SMILES for (4-pyrazol-1-ylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate is O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)OCc1ccc(-n2cccn2)cc1.
What is the InChIKey of (4-pyrazol-1-ylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate?
The InChIKey is ZTFPPJXDBQDKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c28-24(31-19-21-5-10-22(11-6-21)27-18-4-15-25-27)14-9-20-7-12-23(13-8-20)32(29,30)26-16-2-1-3-17-26/h4-8,10-13,15,18H,1-3,9,14,16-17,19H2.
What are the key properties of (4-pyrazol-1-ylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate?
(4-pyrazol-1-ylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate has a molecular weight of 453.56 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-ylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate is sourced from PubChem (CID 55396668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).