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

C8H15N3O — CID 83529434

IUPAC1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol
SMILESCC(C)C(O)Cn1cc(N)cn1
InChIInChI=1S/C8H15N3O/c1-6(2)8(12)5-11-4-7(9)3-10-11/h3-4,6,8,12H,5,9H2,1-2H3
InChIKeyJIQZLTBHYJHSSO-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.48
Rot. Bonds3

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

1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol (PubChem CID 83529434) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol
PubChem CID83529434
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol
SMILESCC(C)C(O)Cn1cc(N)cn1
InChIInChI=1S/C8H15N3O/c1-6(2)8(12)5-11-4-7(9)3-10-11/h3-4,6,8,12H,5,9H2,1-2H3
InChIKeyJIQZLTBHYJHSSO-UHFFFAOYSA-N
XLogP0.48
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylbutyl)pyrazol-4-amine
CID 56604384
1-(4-aminopyrazol-1-yl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-2-ol
CID 55007027
ethyl (2R)-3-(4-aminopyrazol-1-yl)-2-hydroxypropanoate
CID 163467197
1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-4-amine
CID 165479766
1-(2-phenylpropyl)pyrazol-4-amine
CID 50999732
(2S)-1-(4-aminopyrazol-1-yl)-3-pyrrolidin-1-ylpropan-2-ol
CID 51864183
1-[2-(4-aminopyrazol-1-yl)ethyl-methylamino]propan-2-ol
CID 62332870
1-(2-cyclohexylpropyl)pyrazol-4-amine
CID 165465103
1-(4-aminopyrazol-1-yl)-3-(azepan-1-yl)propan-2-ol
CID 43369877
1-(4-aminopyrazol-1-yl)-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol
CID 63982844
2-(4-aminopyrazol-1-yl)-1-(furan-2-yl)ethanol
CID 55269055
2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]acetamide
CID 43373776

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol (CID 83529434) is 1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol is CC(C)C(O)Cn1cc(N)cn1.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol?
The InChIKey is JIQZLTBHYJHSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(2)8(12)5-11-4-7(9)3-10-11/h3-4,6,8,12H,5,9H2,1-2H3.
What are the key properties of 1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol?
1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol has a molecular weight of 169.23 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 83529434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).