1-[2-(4-aminopyrazol-1-yl)ethyl-methylamino]propan-2-ol

C9H18N4O — CID 62332870

IUPAC1-[2-(4-aminopyrazol-1-yl)ethyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)CCn1cc(N)cn1
InChIInChI=1S/C9H18N4O/c1-8(14)6-12(2)3-4-13-7-9(10)5-11-13/h5,7-8,14H,3-4,6,10H2,1-2H3
InChIKeySZBYVYNSDNKTKA-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.22
Rot. Bonds5

About 1-[2-(4-aminopyrazol-1-yl)ethyl-methylamino]propan-2-ol

1-[2-(4-aminopyrazol-1-yl)ethyl-methylamino]propan-2-ol (PubChem CID 62332870) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[2-(4-aminopyrazol-1-yl)ethyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(4-aminopyrazol-1-yl)ethyl-methylamino]propan-2-ol
PubChem CID62332870
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name1-[2-(4-aminopyrazol-1-yl)ethyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)CCn1cc(N)cn1
InChIInChI=1S/C9H18N4O/c1-8(14)6-12(2)3-4-13-7-9(10)5-11-13/h5,7-8,14H,3-4,6,10H2,1-2H3
InChIKeySZBYVYNSDNKTKA-UHFFFAOYSA-N
XLogP-0.22
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol
CID 83529434
1-(4-aminopyrazol-1-yl)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 65483698
1-[2-(N,3,5-trimethylanilino)ethyl]pyrazol-4-amine
CID 62137706
1-[2-(dibutylamino)ethyl]pyrazol-4-amine
CID 62138066
2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]acetamide
CID 43373776
1-(4-aminopyrazol-1-yl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-2-ol
CID 55007027
1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazol-4-amine
CID 142144905
2-(4-aminopyrazol-1-yl)-N-methyl-N-(2-methylpropyl)acetamide
CID 43445500
2-[2-(4-aminopyrazol-1-yl)ethyl-ethylamino]acetamide
CID 103101391
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylpentanamide
CID 115319745
1-[2-[butyl(ethyl)amino]ethyl]pyrazol-4-amine
CID 62136981
1-(4-aminopyrazol-1-yl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol
CID 63233045

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopyrazol-1-yl)ethyl-methylamino]propan-2-ol?
The IUPAC name of 1-[2-(4-aminopyrazol-1-yl)ethyl-methylamino]propan-2-ol (CID 62332870) is 1-[2-(4-aminopyrazol-1-yl)ethyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[2-(4-aminopyrazol-1-yl)ethyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[2-(4-aminopyrazol-1-yl)ethyl-methylamino]propan-2-ol is CC(O)CN(C)CCn1cc(N)cn1.
What is the InChIKey of 1-[2-(4-aminopyrazol-1-yl)ethyl-methylamino]propan-2-ol?
The InChIKey is SZBYVYNSDNKTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-8(14)6-12(2)3-4-13-7-9(10)5-11-13/h5,7-8,14H,3-4,6,10H2,1-2H3.
What are the key properties of 1-[2-(4-aminopyrazol-1-yl)ethyl-methylamino]propan-2-ol?
1-[2-(4-aminopyrazol-1-yl)ethyl-methylamino]propan-2-ol has a molecular weight of 198.27 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopyrazol-1-yl)ethyl-methylamino]propan-2-ol is sourced from PubChem (CID 62332870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).