3-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol

C8H13BrN2O — CID 146597430

IUPAC3-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol
SMILESCC(n1cc(Br)cn1)C(C)(C)O
InChIInChI=1S/C8H13BrN2O/c1-6(8(2,3)12)11-5-7(9)4-10-11/h4-6,12H,1-3H3
InChIKeyBMBFDDUUZGZXPR-UHFFFAOYSA-N
MW233.11 g/mol
LogP1.98
Rot. Bonds2

About 3-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol

3-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol (PubChem CID 146597430) has the molecular formula C8H13BrN2O and a molecular weight of 233.11 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol
PubChem CID146597430
Molecular FormulaC8H13BrN2O
Molecular Weight233.11 g/mol
Exact Mass232.02
IUPAC Name3-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol
SMILESCC(n1cc(Br)cn1)C(C)(C)O
InChIInChI=1S/C8H13BrN2O/c1-6(8(2,3)12)11-5-7(9)4-10-11/h4-6,12H,1-3H3
InChIKeyBMBFDDUUZGZXPR-UHFFFAOYSA-N
XLogP1.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-(2,4-dimethylpentan-3-yl)pyrazole
CID 130119514
(2R,3R)-3-(4-bromopyrazol-1-yl)butan-2-ol
CID 155904902
4-bromo-1-[(2S)-butan-2-yl]pyrazole
CID 51892128
(3R)-3-(4-bromopyrazol-1-yl)butan-1-ol
CID 165127226
(2S)-2-(4-bromopyrazol-1-yl)propanehydrazide
CID 7026116
3-(4-bromo-3-methylpyrazol-1-yl)-2-methylbutan-2-ol;3-(4-bromo-5-methylpyrazol-1-yl)-2-methylbutan-2-ol
CID 157156921
1-(aziridin-1-yl)-2-(4-bromopyrazol-1-yl)propan-1-one
CID 130734809
(2S)-2-(4-bromopyrazol-1-yl)-N-propan-2-ylpropanamide
CID 35522913
4-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol
CID 79362010
2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide
CID 61029814
4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64705445
(2R)-1-(4-bromopyrazol-1-yl)propan-2-ol
CID 93455524

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol (CID 146597430) is 3-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol is CC(n1cc(Br)cn1)C(C)(C)O.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol?
The InChIKey is BMBFDDUUZGZXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O/c1-6(8(2,3)12)11-5-7(9)4-10-11/h4-6,12H,1-3H3.
What are the key properties of 3-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol?
3-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol has a molecular weight of 233.11 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 146597430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).