(4-bromo-1-ethylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanamine

C11H18BrN3O — CID 105040053

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanamine
SMILESCCn1ncc(Br)c1C(N)C1CCC(C)O1
InChIInChI=1S/C11H18BrN3O/c1-3-15-11(8(12)6-14-15)10(13)9-5-4-7(2)16-9/h6-7,9-10H,3-5,13H2,1-2H3
InChIKeyLGDOWZOMCMRWLG-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.23
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanamine

(4-bromo-1-ethylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanamine (PubChem CID 105040053) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanamine
PubChem CID105040053
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanamine
SMILESCCn1ncc(Br)c1C(N)C1CCC(C)O1
InChIInChI=1S/C11H18BrN3O/c1-3-15-11(8(12)6-14-15)10(13)9-5-4-7(2)16-9/h6-7,9-10H,3-5,13H2,1-2H3
InChIKeyLGDOWZOMCMRWLG-UHFFFAOYSA-N
XLogP2.23
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

2-[5-[amino-(5-methyloxolan-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105040993
(4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine
CID 114655875
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine
CID 114646680
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 105047858
(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
CID 114655766
[(4-bromo-1-ethylpyrazol-5-yl)-cyclopentylmethyl]hydrazine
CID 105204420
1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine
CID 114657499
1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine
CID 114648216
2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
CID 114637716
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine
CID 107977457
1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine
CID 114653621
(4-bromo-1-ethylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105039998

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanamine?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanamine (CID 105040053) is (4-bromo-1-ethylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanamine.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanamine?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanamine is CCn1ncc(Br)c1C(N)C1CCC(C)O1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanamine?
The InChIKey is LGDOWZOMCMRWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-3-15-11(8(12)6-14-15)10(13)9-5-4-7(2)16-9/h6-7,9-10H,3-5,13H2,1-2H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanamine?
(4-bromo-1-ethylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanamine has a molecular weight of 288.19 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 105040053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).