ethyl 1-(1-benzyl-3-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate

C24H27N3O4S — CID 42348035

IUPACethyl 1-(1-benzyl-3-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C24H27N3O4S/c1-2-31-24(28)21-13-15-27(16-14-21)32(29,30)22-18-26(17-19-9-5-3-6-10-19)25-23(22)20-11-7-4-8-12-20/h3-12,18,21H,2,13-17H2,1H3
InChIKeyBMNCTKZBMVVDBP-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.56
Rot. Bonds7

About ethyl 1-(1-benzyl-3-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate

ethyl 1-(1-benzyl-3-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate (PubChem CID 42348035) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is ethyl 1-(1-benzyl-3-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-benzyl-3-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate
PubChem CID42348035
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Nameethyl 1-(1-benzyl-3-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C24H27N3O4S/c1-2-31-24(28)21-13-15-27(16-14-21)32(29,30)22-18-26(17-19-9-5-3-6-10-19)25-23(22)20-11-7-4-8-12-20/h3-12,18,21H,2,13-17H2,1H3
InChIKeyBMNCTKZBMVVDBP-UHFFFAOYSA-N
XLogP3.56
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(1-benzyl-3-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate 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

methyl 1-(1,3-diphenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 42349018
ethyl 1-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 42916406
ethyl 4-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carboxylate
CID 42351367
ethyl 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 42284589
ethyl 1-(5-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 110759367
ethyl 1-(2,4,5-trimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 39116367
ethyl 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate
CID 3761247
1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 29382416
ethyl 1-[3-(diethylamino)-1,4-dioxonaphthalen-2-yl]sulfonylpiperidine-4-carboxylate
CID 23822129
1-(2-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 122068242
ethyl 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 1167102
ethyl 1-[3-(bromomethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 142526639

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-benzyl-3-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1-benzyl-3-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate (CID 42348035) is ethyl 1-(1-benzyl-3-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-benzyl-3-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1-benzyl-3-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1.
What is the InChIKey of ethyl 1-(1-benzyl-3-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate?
The InChIKey is BMNCTKZBMVVDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-2-31-24(28)21-13-15-27(16-14-21)32(29,30)22-18-26(17-19-9-5-3-6-10-19)25-23(22)20-11-7-4-8-12-20/h3-12,18,21H,2,13-17H2,1H3.
What are the key properties of ethyl 1-(1-benzyl-3-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate?
ethyl 1-(1-benzyl-3-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate has a molecular weight of 453.56 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-benzyl-3-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 42348035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).