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

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Related Compounds

1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-ethylazepane
CID 104691386
[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103441749
1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338154
2-(2-bromoethyl)-1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidine
CID 80671369
N-[[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83102031
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338910
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 114082448
1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-yl]propan-2-one
CID 79547136
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-(2-chloroethoxy)piperidine
CID 82701961
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
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine
CID 83228285
4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole
CID 66322233

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).