1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-(2-chloroethoxy)piperidine

C14H23BrClN3O — CID 82701961

IUPAC1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-(2-chloroethoxy)piperidine
SMILESCCn1nc(C)c(Br)c1CN1CCC(OCCCl)CC1
InChIInChI=1S/C14H23BrClN3O/c1-3-19-13(14(15)11(2)17-19)10-18-7-4-12(5-8-18)20-9-6-16/h12H,3-10H2,1-2H3
InChIKeyJYQXDUMXNLOHQE-UHFFFAOYSA-N
MW364.72 g/mol
LogP3.19
Rot. Bonds6

About 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-(2-chloroethoxy)piperidine

1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-(2-chloroethoxy)piperidine (PubChem CID 82701961) has the molecular formula C14H23BrClN3O and a molecular weight of 364.72 g/mol. Its IUPAC name is 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-(2-chloroethoxy)piperidine.

Molecular Properties

Compound Name1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-(2-chloroethoxy)piperidine
PubChem CID82701961
Molecular FormulaC14H23BrClN3O
Molecular Weight364.72 g/mol
Exact Mass363.07
IUPAC Name1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-(2-chloroethoxy)piperidine
SMILESCCn1nc(C)c(Br)c1CN1CCC(OCCCl)CC1
InChIInChI=1S/C14H23BrClN3O/c1-3-19-13(14(15)11(2)17-19)10-18-7-4-12(5-8-18)20-9-6-16/h12H,3-10H2,1-2H3
InChIKeyJYQXDUMXNLOHQE-UHFFFAOYSA-N
XLogP3.19
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.72
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-(2-chloroethoxy)piperidine 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

1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 114082448
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943445
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211634
4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1,4-thiazepane 1,1-dioxide
CID 114083665
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine
CID 83062124
4-(2-bromoethoxy)-1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 82690876
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine
CID 83228285
[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103441749
1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-2-yl]ethanamine
CID 115315705
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-(2-chloroethoxy)piperidine
CID 106272398
4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole
CID 66322233
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 114097857

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-(2-chloroethoxy)piperidine?
The IUPAC name of 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-(2-chloroethoxy)piperidine (CID 82701961) is 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-(2-chloroethoxy)piperidine.
What is the SMILES notation for 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-(2-chloroethoxy)piperidine?
The canonical SMILES for 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-(2-chloroethoxy)piperidine is CCn1nc(C)c(Br)c1CN1CCC(OCCCl)CC1.
What is the InChIKey of 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-(2-chloroethoxy)piperidine?
The InChIKey is JYQXDUMXNLOHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrClN3O/c1-3-19-13(14(15)11(2)17-19)10-18-7-4-12(5-8-18)20-9-6-16/h12H,3-10H2,1-2H3.
What are the key properties of 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-(2-chloroethoxy)piperidine?
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-(2-chloroethoxy)piperidine has a molecular weight of 364.72 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-(2-chloroethoxy)piperidine is sourced from PubChem (CID 82701961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).