4-bromo-1-[(2S)-butan-2-yl]pyrazole

C7H11BrN2 — CID 51892128

IUPAC4-bromo-1-[(2S)-butan-2-yl]pyrazole
SMILESCC[C@H](C)n1cc(Br)cn1
InChIInChI=1S/C7H11BrN2/c1-3-6(2)10-5-7(8)4-9-10/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyQBGURVIJWFJGNZ-LURJTMIESA-N
MW203.08 g/mol
LogP2.62
Rot. Bonds2

About 4-bromo-1-[(2S)-butan-2-yl]pyrazole

4-bromo-1-[(2S)-butan-2-yl]pyrazole (PubChem CID 51892128) has the molecular formula C7H11BrN2 and a molecular weight of 203.08 g/mol. Its IUPAC name is 4-bromo-1-[(2S)-butan-2-yl]pyrazole.

Molecular Properties

Compound Name4-bromo-1-[(2S)-butan-2-yl]pyrazole
PubChem CID51892128
Molecular FormulaC7H11BrN2
Molecular Weight203.08 g/mol
Exact Mass202.01
IUPAC Name4-bromo-1-[(2S)-butan-2-yl]pyrazole
SMILESCC[C@H](C)n1cc(Br)cn1
InChIInChI=1S/C7H11BrN2/c1-3-6(2)10-5-7(8)4-9-10/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyQBGURVIJWFJGNZ-LURJTMIESA-N
XLogP2.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-bromopyrazol-1-yl)butan-1-ol
CID 165127226
4-bromo-1-(2,4-dimethylpentan-3-yl)pyrazole
CID 130119514
1-butan-2-yl-4-ethylpyrazole
CID 153355505
2-(4-bromopyrazol-1-yl)-N-methylbutan-1-amine
CID 62440968
(2R,3R)-3-(4-bromopyrazol-1-yl)butan-2-ol
CID 155904902
1-[(2S)-butan-2-yl]pyrazole-4-carbaldehyde
CID 42575026
4-(4-bromopyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62442513
1-butan-2-ylpyrazole-4-carboxylic acid
CID 61272060
3-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol
CID 146597430
3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine
CID 129368046
1-(4-bromopyrazol-1-yl)-1-(2-methoxyphenyl)butan-2-amine
CID 55021696
N-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270583

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(2S)-butan-2-yl]pyrazole?
The IUPAC name of 4-bromo-1-[(2S)-butan-2-yl]pyrazole (CID 51892128) is 4-bromo-1-[(2S)-butan-2-yl]pyrazole.
What is the SMILES notation for 4-bromo-1-[(2S)-butan-2-yl]pyrazole?
The canonical SMILES for 4-bromo-1-[(2S)-butan-2-yl]pyrazole is CC[C@H](C)n1cc(Br)cn1.
What is the InChIKey of 4-bromo-1-[(2S)-butan-2-yl]pyrazole?
The InChIKey is QBGURVIJWFJGNZ-LURJTMIESA-N. The full InChI is InChI=1S/C7H11BrN2/c1-3-6(2)10-5-7(8)4-9-10/h4-6H,3H2,1-2H3/t6-/m0/s1.
What are the key properties of 4-bromo-1-[(2S)-butan-2-yl]pyrazole?
4-bromo-1-[(2S)-butan-2-yl]pyrazole has a molecular weight of 203.08 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(2S)-butan-2-yl]pyrazole is sourced from PubChem (CID 51892128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).