3-(4-bromo-1-propylpyrazol-5-yl)-3-fluoropropan-1-amine

C9H15BrFN3 — CID 114667939

IUPAC3-(4-bromo-1-propylpyrazol-5-yl)-3-fluoropropan-1-amine
SMILESCCCn1ncc(Br)c1C(F)CCN
InChIInChI=1S/C9H15BrFN3/c1-2-5-14-9(7(10)6-13-14)8(11)3-4-12/h6,8H,2-5,12H2,1H3
InChIKeyDAMQJLZEULQHBY-UHFFFAOYSA-N
MW264.14 g/mol
LogP2.41
Rot. Bonds5

About 3-(4-bromo-1-propylpyrazol-5-yl)-3-fluoropropan-1-amine

3-(4-bromo-1-propylpyrazol-5-yl)-3-fluoropropan-1-amine (PubChem CID 114667939) has the molecular formula C9H15BrFN3 and a molecular weight of 264.14 g/mol. Its IUPAC name is 3-(4-bromo-1-propylpyrazol-5-yl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-1-propylpyrazol-5-yl)-3-fluoropropan-1-amine
PubChem CID114667939
Molecular FormulaC9H15BrFN3
Molecular Weight264.14 g/mol
Exact Mass263.04
IUPAC Name3-(4-bromo-1-propylpyrazol-5-yl)-3-fluoropropan-1-amine
SMILESCCCn1ncc(Br)c1C(F)CCN
InChIInChI=1S/C9H15BrFN3/c1-2-5-14-9(7(10)6-13-14)8(11)3-4-12/h6,8H,2-5,12H2,1H3
InChIKeyDAMQJLZEULQHBY-UHFFFAOYSA-N
XLogP2.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635613
(4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
CID 105041548
1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol
CID 114635714
4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine
CID 114664574
(1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol
CID 104940519
[1-(4-bromo-1-propylpyrazol-5-yl)-2-propylpentyl]hydrazine
CID 105336590
2-(4-bromo-1-propylpyrazol-5-yl)ethanamine
CID 114662670
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methylpropyl]hydrazine
CID 105199703
N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine
CID 114647831
(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
CID 114894580
3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-amine
CID 114666504
4-bromo-5-(4-chloropentan-2-yl)-1-propylpyrazole
CID 114665550

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-propylpyrazol-5-yl)-3-fluoropropan-1-amine?
The IUPAC name of 3-(4-bromo-1-propylpyrazol-5-yl)-3-fluoropropan-1-amine (CID 114667939) is 3-(4-bromo-1-propylpyrazol-5-yl)-3-fluoropropan-1-amine.
What is the SMILES notation for 3-(4-bromo-1-propylpyrazol-5-yl)-3-fluoropropan-1-amine?
The canonical SMILES for 3-(4-bromo-1-propylpyrazol-5-yl)-3-fluoropropan-1-amine is CCCn1ncc(Br)c1C(F)CCN.
What is the InChIKey of 3-(4-bromo-1-propylpyrazol-5-yl)-3-fluoropropan-1-amine?
The InChIKey is DAMQJLZEULQHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrFN3/c1-2-5-14-9(7(10)6-13-14)8(11)3-4-12/h6,8H,2-5,12H2,1H3.
What are the key properties of 3-(4-bromo-1-propylpyrazol-5-yl)-3-fluoropropan-1-amine?
3-(4-bromo-1-propylpyrazol-5-yl)-3-fluoropropan-1-amine has a molecular weight of 264.14 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-propylpyrazol-5-yl)-3-fluoropropan-1-amine is sourced from PubChem (CID 114667939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).