2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol

C8H14BrN3O — CID 130586355

IUPAC2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
SMILESCn1ncc(Br)c1C(O)C(C)(C)N
InChIInChI=1S/C8H14BrN3O/c1-8(2,10)7(13)6-5(9)4-11-12(6)3/h4,7,13H,10H2,1-3H3
InChIKeyUPTBKNLLUQZIRQ-UHFFFAOYSA-N
MW248.12 g/mol
LogP0.95
Rot. Bonds2

About 2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol

2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol (PubChem CID 130586355) has the molecular formula C8H14BrN3O and a molecular weight of 248.12 g/mol. Its IUPAC name is 2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
PubChem CID130586355
Molecular FormulaC8H14BrN3O
Molecular Weight248.12 g/mol
Exact Mass247.03
IUPAC Name2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
SMILESCn1ncc(Br)c1C(O)C(C)(C)N
InChIInChI=1S/C8H14BrN3O/c1-8(2,10)7(13)6-5(9)4-11-12(6)3/h4,7,13H,10H2,1-3H3
InChIKeyUPTBKNLLUQZIRQ-UHFFFAOYSA-N
XLogP0.95
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-2-methylbutane-1,2-diol
CID 103448738
1-(4-bromo-1-methylpyrazol-5-yl)-2-chloro-2,2-difluoroethanol
CID 114645379
1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine
CID 130605081
2-(1-adamantyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethanol
CID 115839202
1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine
CID 130899126
1-(4-bromo-1-methylpyrazol-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 114656521
1-(4-bromo-1-methylpyrazol-5-yl)but-2-yn-1-ol
CID 130586642
4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol
CID 114665060
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol
CID 114643180
1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 114656691
(4-bromo-1-methylpyrazol-5-yl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 114638010
(4-bromo-1-methylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanol
CID 107969950

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol (CID 130586355) is 2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol is Cn1ncc(Br)c1C(O)C(C)(C)N.
What is the InChIKey of 2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol?
The InChIKey is UPTBKNLLUQZIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3O/c1-8(2,10)7(13)6-5(9)4-11-12(6)3/h4,7,13H,10H2,1-3H3.
What are the key properties of 2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol?
2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol has a molecular weight of 248.12 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 130586355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).