N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methyloxolan-2-yl)methyl]propan-1-amine

C15H26BrN3O2 — CID 105042952

IUPACN-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(Br)cnn1CCOC)C1OCCC1C
InChIInChI=1S/C15H26BrN3O2/c1-4-6-17-13(15-11(2)5-8-21-15)14-12(16)10-18-19(14)7-9-20-3/h10-11,13,15,17H,4-9H2,1-3H3
InChIKeyXPLPRXNTZJPJMZ-UHFFFAOYSA-N
MW360.30 g/mol
LogP2.76
Rot. Bonds8

About N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methyloxolan-2-yl)methyl]propan-1-amine

N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methyloxolan-2-yl)methyl]propan-1-amine (PubChem CID 105042952) has the molecular formula C15H26BrN3O2 and a molecular weight of 360.30 g/mol. Its IUPAC name is N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methyloxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methyloxolan-2-yl)methyl]propan-1-amine
PubChem CID105042952
Molecular FormulaC15H26BrN3O2
Molecular Weight360.30 g/mol
Exact Mass359.12
IUPAC NameN-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(Br)cnn1CCOC)C1OCCC1C
InChIInChI=1S/C15H26BrN3O2/c1-4-6-17-13(15-11(2)5-8-21-15)14-12(16)10-18-19(14)7-9-20-3/h10-11,13,15,17H,4-9H2,1-3H3
InChIKeyXPLPRXNTZJPJMZ-UHFFFAOYSA-N
XLogP2.76
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105336709
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropyl-N-propylpropan-1-amine
CID 105043122
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655691
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547194
N-[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethyl]propan-1-amine
CID 114657566
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dioxan-2-yl)methyl]ethanamine
CID 105043044
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methyloxolan-3-yl)methyl]ethanamine
CID 105043138
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methyl]propan-1-amine
CID 114658581
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylsulfanyl-N-propylpropan-1-amine
CID 105184228
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(oxolan-2-yl)methyl]hydrazine
CID 105229175
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyloxolan-3-yl)methanamine
CID 105043083
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-cyclopentyl-N-methylmethanamine
CID 114648229

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methyloxolan-2-yl)methyl]propan-1-amine (CID 105042952) is N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methyloxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methyloxolan-2-yl)methyl]propan-1-amine is CCCNC(c1c(Br)cnn1CCOC)C1OCCC1C.
What is the InChIKey of N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The InChIKey is XPLPRXNTZJPJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3O2/c1-4-6-17-13(15-11(2)5-8-21-15)14-12(16)10-18-19(14)7-9-20-3/h10-11,13,15,17H,4-9H2,1-3H3.
What are the key properties of N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methyloxolan-2-yl)methyl]propan-1-amine?
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methyloxolan-2-yl)methyl]propan-1-amine has a molecular weight of 360.30 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methyloxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105042952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).