2-[4-(5-bromopyrazol-1-yl)phenyl]-2-methylpropan-1-ol

C13H15BrN2O — CID 117475728

IUPAC2-[4-(5-bromopyrazol-1-yl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(-n2nccc2Br)cc1
InChIInChI=1S/C13H15BrN2O/c1-13(2,9-17)10-3-5-11(6-4-10)16-12(14)7-8-15-16/h3-8,17H,9H2,1-2H3
InChIKeyJIGNXPCUOQCJDC-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.90
Rot. Bonds3

About 2-[4-(5-bromopyrazol-1-yl)phenyl]-2-methylpropan-1-ol

2-[4-(5-bromopyrazol-1-yl)phenyl]-2-methylpropan-1-ol (PubChem CID 117475728) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 2-[4-(5-bromopyrazol-1-yl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-(5-bromopyrazol-1-yl)phenyl]-2-methylpropan-1-ol
PubChem CID117475728
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name2-[4-(5-bromopyrazol-1-yl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(-n2nccc2Br)cc1
InChIInChI=1S/C13H15BrN2O/c1-13(2,9-17)10-3-5-11(6-4-10)16-12(14)7-8-15-16/h3-8,17H,9H2,1-2H3
InChIKeyJIGNXPCUOQCJDC-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromopyrazol-1-yl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-(5-bromopyrazol-1-yl)phenyl]-2-methylpropan-1-ol (CID 117475728) is 2-[4-(5-bromopyrazol-1-yl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-(5-bromopyrazol-1-yl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-(5-bromopyrazol-1-yl)phenyl]-2-methylpropan-1-ol is CC(C)(CO)c1ccc(-n2nccc2Br)cc1.
What is the InChIKey of 2-[4-(5-bromopyrazol-1-yl)phenyl]-2-methylpropan-1-ol?
The InChIKey is JIGNXPCUOQCJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-13(2,9-17)10-3-5-11(6-4-10)16-12(14)7-8-15-16/h3-8,17H,9H2,1-2H3.
What are the key properties of 2-[4-(5-bromopyrazol-1-yl)phenyl]-2-methylpropan-1-ol?
2-[4-(5-bromopyrazol-1-yl)phenyl]-2-methylpropan-1-ol has a molecular weight of 295.18 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromopyrazol-1-yl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117475728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).