5-[(2S)-2-bromo-3-methylbutan-2-yl]-4,5-dihydro-1H-pyrazol-3-amine

C8H16BrN3 — CID 142795615

IUPAC5-[(2S)-2-bromo-3-methylbutan-2-yl]-4,5-dihydro-1H-pyrazol-3-amine
SMILESCC(C)[C@](C)(Br)C1CC(N)=NN1
InChIInChI=1S/C8H16BrN3/c1-5(2)8(3,9)6-4-7(10)12-11-6/h5-6,11H,4H2,1-3H3,(H2,10,12)/t6?,8-/m0/s1
InChIKeyPOIZFPIDQVZBHP-XDKWHASVSA-N
MW234.14 g/mol
LogP1.43
Rot. Bonds2

About 5-[(2S)-2-bromo-3-methylbutan-2-yl]-4,5-dihydro-1H-pyrazol-3-amine

5-[(2S)-2-bromo-3-methylbutan-2-yl]-4,5-dihydro-1H-pyrazol-3-amine (PubChem CID 142795615) has the molecular formula C8H16BrN3 and a molecular weight of 234.14 g/mol. Its IUPAC name is 5-[(2S)-2-bromo-3-methylbutan-2-yl]-4,5-dihydro-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[(2S)-2-bromo-3-methylbutan-2-yl]-4,5-dihydro-1H-pyrazol-3-amine
PubChem CID142795615
Molecular FormulaC8H16BrN3
Molecular Weight234.14 g/mol
Exact Mass233.05
IUPAC Name5-[(2S)-2-bromo-3-methylbutan-2-yl]-4,5-dihydro-1H-pyrazol-3-amine
SMILESCC(C)[C@](C)(Br)C1CC(N)=NN1
InChIInChI=1S/C8H16BrN3/c1-5(2)8(3,9)6-4-7(10)12-11-6/h5-6,11H,4H2,1-3H3,(H2,10,12)/t6?,8-/m0/s1
InChIKeyPOIZFPIDQVZBHP-XDKWHASVSA-N
XLogP1.43
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-bromo-3-methylbutan-2-yl]-4,5-dihydro-1H-pyrazol-3-amine?
The IUPAC name of 5-[(2S)-2-bromo-3-methylbutan-2-yl]-4,5-dihydro-1H-pyrazol-3-amine (CID 142795615) is 5-[(2S)-2-bromo-3-methylbutan-2-yl]-4,5-dihydro-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[(2S)-2-bromo-3-methylbutan-2-yl]-4,5-dihydro-1H-pyrazol-3-amine?
The canonical SMILES for 5-[(2S)-2-bromo-3-methylbutan-2-yl]-4,5-dihydro-1H-pyrazol-3-amine is CC(C)[C@](C)(Br)C1CC(N)=NN1.
What is the InChIKey of 5-[(2S)-2-bromo-3-methylbutan-2-yl]-4,5-dihydro-1H-pyrazol-3-amine?
The InChIKey is POIZFPIDQVZBHP-XDKWHASVSA-N. The full InChI is InChI=1S/C8H16BrN3/c1-5(2)8(3,9)6-4-7(10)12-11-6/h5-6,11H,4H2,1-3H3,(H2,10,12)/t6?,8-/m0/s1.
What are the key properties of 5-[(2S)-2-bromo-3-methylbutan-2-yl]-4,5-dihydro-1H-pyrazol-3-amine?
5-[(2S)-2-bromo-3-methylbutan-2-yl]-4,5-dihydro-1H-pyrazol-3-amine has a molecular weight of 234.14 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-bromo-3-methylbutan-2-yl]-4,5-dihydro-1H-pyrazol-3-amine is sourced from PubChem (CID 142795615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).