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

C8H13BrN2O — CID 79362010

IUPAC4-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCn1cc(Br)cn1
InChIInChI=1S/C8H13BrN2O/c1-8(2,12)3-4-11-6-7(9)5-10-11/h5-6,12H,3-4H2,1-2H3
InChIKeyQOKKZKWWDAOPBQ-UHFFFAOYSA-N
MW233.11 g/mol
LogP1.81
Rot. Bonds3

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

4-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol (PubChem CID 79362010) has the molecular formula C8H13BrN2O and a molecular weight of 233.11 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol
PubChem CID79362010
Molecular FormulaC8H13BrN2O
Molecular Weight233.11 g/mol
Exact Mass232.02
IUPAC Name4-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCn1cc(Br)cn1
InChIInChI=1S/C8H13BrN2O/c1-8(2,12)3-4-11-6-7(9)5-10-11/h5-6,12H,3-4H2,1-2H3
InChIKeyQOKKZKWWDAOPBQ-UHFFFAOYSA-N
XLogP1.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol (CID 79362010) is 4-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol is CC(C)(O)CCn1cc(Br)cn1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol?
The InChIKey is QOKKZKWWDAOPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O/c1-8(2,12)3-4-11-6-7(9)5-10-11/h5-6,12H,3-4H2,1-2H3.
What are the key properties of 4-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol?
4-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol has a molecular weight of 233.11 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 79362010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).