ethyl 3-[(3-chlorophenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate

C20H24ClN3O3 — CID 24793897

IUPACethyl 3-[(3-chlorophenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2cccc(Cl)c2)CCCN(C(=O)c2ccnn2C)C1
InChIInChI=1S/C20H24ClN3O3/c1-3-27-19(26)20(13-15-6-4-7-16(21)12-15)9-5-11-24(14-20)18(25)17-8-10-22-23(17)2/h4,6-8,10,12H,3,5,9,11,13-14H2,1-2H3
InChIKeyAHVPWQGGTKKBSE-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.10
Rot. Bonds5

About ethyl 3-[(3-chlorophenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate

ethyl 3-[(3-chlorophenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate (PubChem CID 24793897) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is ethyl 3-[(3-chlorophenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(3-chlorophenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
PubChem CID24793897
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Nameethyl 3-[(3-chlorophenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2cccc(Cl)c2)CCCN(C(=O)c2ccnn2C)C1
InChIInChI=1S/C20H24ClN3O3/c1-3-27-19(26)20(13-15-6-4-7-16(21)12-15)9-5-11-24(14-20)18(25)17-8-10-22-23(17)2/h4,6-8,10,12H,3,5,9,11,13-14H2,1-2H3
InChIKeyAHVPWQGGTKKBSE-UHFFFAOYSA-N
XLogP3.10
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[(3-chlorophenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-chlorophenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 3-[(3-chlorophenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate (CID 24793897) is ethyl 3-[(3-chlorophenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-[(3-chlorophenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 3-[(3-chlorophenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1(Cc2cccc(Cl)c2)CCCN(C(=O)c2ccnn2C)C1.
What is the InChIKey of ethyl 3-[(3-chlorophenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is AHVPWQGGTKKBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-3-27-19(26)20(13-15-6-4-7-16(21)12-15)9-5-11-24(14-20)18(25)17-8-10-22-23(17)2/h4,6-8,10,12H,3,5,9,11,13-14H2,1-2H3.
What are the key properties of ethyl 3-[(3-chlorophenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate?
ethyl 3-[(3-chlorophenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 389.88 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-chlorophenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 24793897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).