2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylpiperidine

C13H22BrN3O — CID 114663304

IUPAC2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylpiperidine
SMILESCCC1CCNC(c2c(Br)cnn2CCOC)C1
InChIInChI=1S/C13H22BrN3O/c1-3-10-4-5-15-12(8-10)13-11(14)9-16-17(13)6-7-18-2/h9-10,12,15H,3-8H2,1-2H3
InChIKeySTIOUCIYKHZXDM-UHFFFAOYSA-N
MW316.24 g/mol
LogP2.74
Rot. Bonds5

About 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylpiperidine

2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylpiperidine (PubChem CID 114663304) has the molecular formula C13H22BrN3O and a molecular weight of 316.24 g/mol. Its IUPAC name is 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylpiperidine.

Molecular Properties

Compound Name2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylpiperidine
PubChem CID114663304
Molecular FormulaC13H22BrN3O
Molecular Weight316.24 g/mol
Exact Mass315.09
IUPAC Name2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylpiperidine
SMILESCCC1CCNC(c2c(Br)cnn2CCOC)C1
InChIInChI=1S/C13H22BrN3O/c1-3-10-4-5-15-12(8-10)13-11(14)9-16-17(13)6-7-18-2/h9-10,12,15H,3-8H2,1-2H3
InChIKeySTIOUCIYKHZXDM-UHFFFAOYSA-N
XLogP2.74
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-(4-methoxy-1-methylpyrazol-5-yl)piperidine
CID 114663296
[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine
CID 114666641
4-bromo-1-ethyl-5-pyrrolidin-2-ylpyrazole
CID 114663184
4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole
CID 114662598
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol
CID 114662410
4-bromo-5-(2-chlorocyclopentyl)-1-(2-methoxyethyl)pyrazole
CID 114662548
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylcyclohexyl)methanone
CID 114640693
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine
CID 114662846
1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine
CID 114667326
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 114634004
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-propan-2-ylazepane
CID 114657368
[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropylethyl]hydrazine
CID 105254185

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylpiperidine?
The IUPAC name of 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylpiperidine (CID 114663304) is 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylpiperidine.
What is the SMILES notation for 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylpiperidine?
The canonical SMILES for 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylpiperidine is CCC1CCNC(c2c(Br)cnn2CCOC)C1.
What is the InChIKey of 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylpiperidine?
The InChIKey is STIOUCIYKHZXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O/c1-3-10-4-5-15-12(8-10)13-11(14)9-16-17(13)6-7-18-2/h9-10,12,15H,3-8H2,1-2H3.
What are the key properties of 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylpiperidine?
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylpiperidine has a molecular weight of 316.24 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylpiperidine is sourced from PubChem (CID 114663304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).