1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine

C14H24BrN3O — CID 114647467

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
SMILESCCCn1ncc(Br)c1C(CC1CCCO1)NCC
InChIInChI=1S/C14H24BrN3O/c1-3-7-18-14(12(15)10-17-18)13(16-4-2)9-11-6-5-8-19-11/h10-11,13,16H,3-9H2,1-2H3
InChIKeyVXPPYNLBVRBKEB-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.28
Rot. Bonds7

About 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine

1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine (PubChem CID 114647467) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
PubChem CID114647467
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
SMILESCCCn1ncc(Br)c1C(CC1CCCO1)NCC
InChIInChI=1S/C14H24BrN3O/c1-3-7-18-14(12(15)10-17-18)13(16-4-2)9-11-6-5-8-19-11/h10-11,13,16H,3-9H2,1-2H3
InChIKeyVXPPYNLBVRBKEB-UHFFFAOYSA-N
XLogP3.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethyl]propan-1-amine
CID 114660477
1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 114647464
1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxan-2-yl)ethanamine
CID 114660462
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propylpyrazol-5-yl)-N-ethylethanamine
CID 105041464
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547194
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine
CID 114646680
N-[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(oxan-2-yl)ethyl]propan-1-amine
CID 114660474
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3-propoxypropan-1-amine
CID 105183470
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648482
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 114660263
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105183576
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 114647437

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine (CID 114647467) is 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine is CCCn1ncc(Br)c1C(CC1CCCO1)NCC.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
The InChIKey is VXPPYNLBVRBKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-3-7-18-14(12(15)10-17-18)13(16-4-2)9-11-6-5-8-19-11/h10-11,13,16H,3-9H2,1-2H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine has a molecular weight of 330.27 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 114647467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).