2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine

C14H24BrN3O — CID 105000580

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1c(Br)c(C)nn1C)C1COC(C)C1
InChIInChI=1S/C14H24BrN3O/c1-5-16-12(11-6-9(2)19-8-11)7-13-14(15)10(3)17-18(13)4/h9,11-12,16H,5-8H2,1-4H3
InChIKeyNPKUIPQZQDPRNW-UHFFFAOYSA-N
MW330.27 g/mol
LogP2.44
Rot. Bonds5

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine (PubChem CID 105000580) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
PubChem CID105000580
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1c(Br)c(C)nn1C)C1COC(C)C1
InChIInChI=1S/C14H24BrN3O/c1-5-16-12(11-6-9(2)19-8-11)7-13-14(15)10(3)17-18(13)4/h9,11-12,16H,5-8H2,1-4H3
InChIKeyNPKUIPQZQDPRNW-UHFFFAOYSA-N
XLogP2.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 104996890
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 104996471
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine
CID 104996892
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
CID 103546899
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine
CID 79665894
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cyclopropyl-N-ethylbutan-2-amine
CID 105000305
N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105000367
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
CID 115388120
2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105024778
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine
CID 104998621
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79064714
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethanone
CID 114982061

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine (CID 105000580) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine is CCNC(Cc1c(Br)c(C)nn1C)C1COC(C)C1.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine?
The InChIKey is NPKUIPQZQDPRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-5-16-12(11-6-9(2)19-8-11)7-13-14(15)10(3)17-18(13)4/h9,11-12,16H,5-8H2,1-4H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine has a molecular weight of 330.27 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine is sourced from PubChem (CID 105000580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).