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

C15H26BrN3 — CID 83062124

IUPAC1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine
SMILESCCCC1CCCCN1Cc1c(Br)c(C)nn1CC
InChIInChI=1S/C15H26BrN3/c1-4-8-13-9-6-7-10-18(13)11-14-15(16)12(3)17-19(14)5-2/h13H,4-11H2,1-3H3
InChIKeyLDNSJMXJYGFLJM-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.13
Rot. Bonds5

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

1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine (PubChem CID 83062124) has the molecular formula C15H26BrN3 and a molecular weight of 328.30 g/mol. Its IUPAC name is 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine.

Molecular Properties

Compound Name1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine
PubChem CID83062124
Molecular FormulaC15H26BrN3
Molecular Weight328.30 g/mol
Exact Mass327.13
IUPAC Name1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine
SMILESCCCC1CCCCN1Cc1c(Br)c(C)nn1CC
InChIInChI=1S/C15H26BrN3/c1-4-8-13-9-6-7-10-18(13)11-14-15(16)12(3)17-19(14)5-2/h13H,4-11H2,1-3H3
InChIKeyLDNSJMXJYGFLJM-UHFFFAOYSA-N
XLogP4.13
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine 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 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine?
The IUPAC name of 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine (CID 83062124) is 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine.
What is the SMILES notation for 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine?
The canonical SMILES for 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine is CCCC1CCCCN1Cc1c(Br)c(C)nn1CC.
What is the InChIKey of 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine?
The InChIKey is LDNSJMXJYGFLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3/c1-4-8-13-9-6-7-10-18(13)11-14-15(16)12(3)17-19(14)5-2/h13H,4-11H2,1-3H3.
What are the key properties of 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine?
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine has a molecular weight of 328.30 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine is sourced from PubChem (CID 83062124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).