2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine

C10H16BrN3 — CID 114666406

IUPAC2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine
SMILESCCCn1ncc(Br)c1C1CCC1N
InChIInChI=1S/C10H16BrN3/c1-2-5-14-10(8(11)6-13-14)7-3-4-9(7)12/h6-7,9H,2-5,12H2,1H3
InChIKeyHQTZXPFVNZAPTR-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.26
Rot. Bonds3

About 2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine

2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine (PubChem CID 114666406) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine
PubChem CID114666406
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine
SMILESCCCn1ncc(Br)c1C1CCC1N
InChIInChI=1S/C10H16BrN3/c1-2-5-14-10(8(11)6-13-14)7-3-4-9(7)12/h6-7,9H,2-5,12H2,1H3
InChIKeyHQTZXPFVNZAPTR-UHFFFAOYSA-N
XLogP2.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 114666964
4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole
CID 114662597
2-(4-bromo-1-ethylpyrazol-5-yl)-4-methylcyclohexan-1-amine
CID 114666425
4-bromo-5-(2-chlorocycloheptyl)-1-propylpyrazole
CID 114662563
N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 114667257
N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 114667267
4-bromo-5-(3-chlorocycloheptyl)-1-propylpyrazole
CID 114665248
3-(4-bromo-1-propylpyrazol-5-yl)-N-methylcyclohexan-1-amine
CID 114664137
2-[5-[2-(aminomethyl)cyclohexyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114666566
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol
CID 114662410
[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine
CID 114666641
[2-(4-bromo-1-ethylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methanamine
CID 114666692

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine?
The IUPAC name of 2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine (CID 114666406) is 2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine.
What is the SMILES notation for 2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine?
The canonical SMILES for 2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine is CCCn1ncc(Br)c1C1CCC1N.
What is the InChIKey of 2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine?
The InChIKey is HQTZXPFVNZAPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-2-5-14-10(8(11)6-13-14)7-3-4-9(7)12/h6-7,9H,2-5,12H2,1H3.
What are the key properties of 2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine?
2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine has a molecular weight of 258.16 g/mol, XLogP of 2.26, 3 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)cyclobutan-1-amine is sourced from PubChem (CID 114666406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).