1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine

C15H27BrN4O — CID 114656663

IUPAC1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine
SMILESCOCCn1ncc(Br)c1C(N)C(C)(C)N1CCCCC1
InChIInChI=1S/C15H27BrN4O/c1-15(2,19-7-5-4-6-8-19)14(17)13-12(16)11-18-20(13)9-10-21-3/h11,14H,4-10,17H2,1-3H3
InChIKeyCTXMUFVOXBPCFE-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.56
Rot. Bonds6

About 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine (PubChem CID 114656663) has the molecular formula C15H27BrN4O and a molecular weight of 359.31 g/mol. Its IUPAC name is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine
PubChem CID114656663
Molecular FormulaC15H27BrN4O
Molecular Weight359.31 g/mol
Exact Mass358.14
IUPAC Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine
SMILESCOCCn1ncc(Br)c1C(N)C(C)(C)N1CCCCC1
InChIInChI=1S/C15H27BrN4O/c1-15(2,19-7-5-4-6-8-19)14(17)13-12(16)11-18-20(13)9-10-21-3/h11,14H,4-10,17H2,1-3H3
InChIKeyCTXMUFVOXBPCFE-UHFFFAOYSA-N
XLogP2.56
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 114656662
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656621
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 114644453
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-2-methylbutan-1-amine
CID 114661608
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-ethylcyclopentyl)methanamine
CID 105043022
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657527
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropane-1,2-diol
CID 103449119
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 114656654
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114656813
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-methoxyethoxy)ethanamine
CID 114032989
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3,3-dimethylbutan-1-ol
CID 114635717
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-cyclopentyl-N-methylmethanamine
CID 114648229

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine (CID 114656663) is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine is COCCn1ncc(Br)c1C(N)C(C)(C)N1CCCCC1.
What is the InChIKey of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine?
The InChIKey is CTXMUFVOXBPCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN4O/c1-15(2,19-7-5-4-6-8-19)14(17)13-12(16)11-18-20(13)9-10-21-3/h11,14H,4-10,17H2,1-3H3.
What are the key properties of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine?
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine has a molecular weight of 359.31 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 114656663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).