1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine

C11H18BrN3O — CID 114646680

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine
SMILESCCn1ncc(Br)c1C(N)CC1CCCO1
InChIInChI=1S/C11H18BrN3O/c1-2-15-11(9(12)7-14-15)10(13)6-8-4-3-5-16-8/h7-8,10H,2-6,13H2,1H3
InChIKeyYQYNHKVKZYSTLS-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.23
Rot. Bonds4

About 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine

1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine (PubChem CID 114646680) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine
PubChem CID114646680
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine
SMILESCCn1ncc(Br)c1C(N)CC1CCCO1
InChIInChI=1S/C11H18BrN3O/c1-2-15-11(9(12)7-14-15)10(13)6-8-4-3-5-16-8/h7-8,10H,2-6,13H2,1H3
InChIKeyYQYNHKVKZYSTLS-UHFFFAOYSA-N
XLogP2.23
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-(oxolan-2-yl)propan-1-amine
CID 105041029
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 114647467
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethyl]hydrazine
CID 105198590
1-(4-methoxy-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanamine
CID 114660442
N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethyl]propan-1-amine
CID 114660477
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine
CID 114646684
1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine
CID 114657499
4-bromo-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
CID 19476591
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 114660447
1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine
CID 114653621
(4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine
CID 114655875
[(4-bromo-1-ethylpyrazol-5-yl)-cyclopentylmethyl]hydrazine
CID 105204420

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine (CID 114646680) is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine is CCn1ncc(Br)c1C(N)CC1CCCO1.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is YQYNHKVKZYSTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-2-15-11(9(12)7-14-15)10(13)6-8-4-3-5-16-8/h7-8,10H,2-6,13H2,1H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine?
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 288.19 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 114646680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).