2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroethanamine

C8H13BrFN3 — CID 114667634

IUPAC2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroethanamine
SMILESCC(C)n1ncc(Br)c1C(F)CN
InChIInChI=1S/C8H13BrFN3/c1-5(2)13-8(7(10)3-11)6(9)4-12-13/h4-5,7H,3,11H2,1-2H3
InChIKeyPAKKSVUKHIRQOS-UHFFFAOYSA-N
MW250.11 g/mol
LogP2.20
Rot. Bonds3

About 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroethanamine

2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroethanamine (PubChem CID 114667634) has the molecular formula C8H13BrFN3 and a molecular weight of 250.11 g/mol. Its IUPAC name is 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroethanamine
PubChem CID114667634
Molecular FormulaC8H13BrFN3
Molecular Weight250.11 g/mol
Exact Mass249.03
IUPAC Name2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroethanamine
SMILESCC(C)n1ncc(Br)c1C(F)CN
InChIInChI=1S/C8H13BrFN3/c1-5(2)13-8(7(10)3-11)6(9)4-12-13/h4-5,7H,3,11H2,1-2H3
InChIKeyPAKKSVUKHIRQOS-UHFFFAOYSA-N
XLogP2.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.11
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
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1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine
CID 114653629
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethylbutyl]hydrazine
CID 105336913
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol
CID 103454535
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbutane-1,2-diol
CID 103456487
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,3-dimethylbutan-1-ol
CID 115835347
2-[(4-bromo-1-methylpyrazol-5-yl)-fluoromethyl]-3-methylbutan-1-amine
CID 107443558
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635608
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanol
CID 103547630
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine
CID 114657126
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentyl]hydrazine
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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroethanamine?
The IUPAC name of 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroethanamine (CID 114667634) is 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroethanamine.
What is the SMILES notation for 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroethanamine?
The canonical SMILES for 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroethanamine is CC(C)n1ncc(Br)c1C(F)CN.
What is the InChIKey of 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroethanamine?
The InChIKey is PAKKSVUKHIRQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrFN3/c1-5(2)13-8(7(10)3-11)6(9)4-12-13/h4-5,7H,3,11H2,1-2H3.
What are the key properties of 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroethanamine?
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-fluoroethanamine has a molecular weight of 250.11 g/mol, XLogP of 2.20, 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-propan-2-ylpyrazol-5-yl)-2-fluoroethanamine is sourced from PubChem (CID 114667634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).