2-(4-bromo-1-propylpyrazol-5-yl)ethanamine

C8H14BrN3 — CID 114662670

IUPAC2-(4-bromo-1-propylpyrazol-5-yl)ethanamine
SMILESCCCn1ncc(Br)c1CCN
InChIInChI=1S/C8H14BrN3/c1-2-5-12-8(3-4-10)7(9)6-11-12/h6H,2-5,10H2,1H3
InChIKeyLRCBZWCLYUBJJQ-UHFFFAOYSA-N
MW232.12 g/mol
LogP1.56
Rot. Bonds4

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

2-(4-bromo-1-propylpyrazol-5-yl)ethanamine (PubChem CID 114662670) has the molecular formula C8H14BrN3 and a molecular weight of 232.12 g/mol. Its IUPAC name is 2-(4-bromo-1-propylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1-propylpyrazol-5-yl)ethanamine
PubChem CID114662670
Molecular FormulaC8H14BrN3
Molecular Weight232.12 g/mol
Exact Mass231.04
IUPAC Name2-(4-bromo-1-propylpyrazol-5-yl)ethanamine
SMILESCCCn1ncc(Br)c1CCN
InChIInChI=1S/C8H14BrN3/c1-2-5-12-8(3-4-10)7(9)6-11-12/h6H,2-5,10H2,1H3
InChIKeyLRCBZWCLYUBJJQ-UHFFFAOYSA-N
XLogP1.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-1-propylpyrazol-4-yl)ethanamine
CID 115017423
4-bromo-1-ethyl-5-propylpyrazole
CID 105470593
2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 114662830
3-(4-bromo-1-propylpyrazol-5-yl)-3-fluoropropan-1-amine
CID 114667939
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine
CID 114663770
4-(4-bromo-1-propylpyrazol-5-yl)aniline
CID 106505841
4-bromo-5-(oxiran-2-ylmethyl)-1-propylpyrazole
CID 114667610
(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 17024779
4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine
CID 114664574
2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine
CID 114666406
4-(bromomethyl)-1,5-dipropylpyrazole
CID 66437945
6-amino-1-(4-bromo-1-propylpyrazol-5-yl)-4-methylhexan-1-one
CID 114669755

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-propylpyrazol-5-yl)ethanamine?
The IUPAC name of 2-(4-bromo-1-propylpyrazol-5-yl)ethanamine (CID 114662670) is 2-(4-bromo-1-propylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1-propylpyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-1-propylpyrazol-5-yl)ethanamine is CCCn1ncc(Br)c1CCN.
What is the InChIKey of 2-(4-bromo-1-propylpyrazol-5-yl)ethanamine?
The InChIKey is LRCBZWCLYUBJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3/c1-2-5-12-8(3-4-10)7(9)6-11-12/h6H,2-5,10H2,1H3.
What are the key properties of 2-(4-bromo-1-propylpyrazol-5-yl)ethanamine?
2-(4-bromo-1-propylpyrazol-5-yl)ethanamine has a molecular weight of 232.12 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-propylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 114662670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).