2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]acetamide

C9H17N5O2 — CID 43373776

IUPAC2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]acetamide
SMILESCN(CC(N)=O)CC(O)Cn1cc(N)cn1
InChIInChI=1S/C9H17N5O2/c1-13(6-9(11)16)4-8(15)5-14-3-7(10)2-12-14/h2-3,8,15H,4-6,10H2,1H3,(H2,11,16)
InChIKeyBBILDZJCUPVDLW-UHFFFAOYSA-N
MW227.27 g/mol
LogP-1.76
Rot. Bonds6

About 2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]acetamide

2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]acetamide (PubChem CID 43373776) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]acetamide
PubChem CID43373776
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]acetamide
SMILESCN(CC(N)=O)CC(O)Cn1cc(N)cn1
InChIInChI=1S/C9H17N5O2/c1-13(6-9(11)16)4-8(15)5-14-3-7(10)2-12-14/h2-3,8,15H,4-6,10H2,1H3,(H2,11,16)
InChIKeyBBILDZJCUPVDLW-UHFFFAOYSA-N
XLogP-1.76
TPSA110.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]-N-methylacetamide
CID 43374449
1-(4-aminopyrazol-1-yl)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 65483698
1-(4-aminopyrazol-1-yl)-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol
CID 63982844
2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-N-methylacetamide
CID 43574922
1-(4-aminopyrazol-1-yl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol
CID 63233045
1-(4-aminopyrazol-1-yl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-2-ol
CID 55007027
1-(4-aminopyrazol-1-yl)-3-[(2-chlorophenyl)methyl-methylamino]propan-2-ol
CID 61416751
ethyl (2R)-3-(4-aminopyrazol-1-yl)-2-hydroxypropanoate
CID 163467197
1-(4-aminopyrazol-1-yl)-3-[methyl(oxan-4-yl)amino]propan-2-ol
CID 43610733
N-(2-amino-2-oxoethyl)-2-(4-aminopyrazol-1-yl)-N-propan-2-ylacetamide
CID 43572615
1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol
CID 83529434
1-[2-(4-aminopyrazol-1-yl)ethyl-methylamino]propan-2-ol
CID 62332870

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]acetamide?
The IUPAC name of 2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]acetamide (CID 43373776) is 2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]acetamide.
What is the SMILES notation for 2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]acetamide?
The canonical SMILES for 2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]acetamide is CN(CC(N)=O)CC(O)Cn1cc(N)cn1.
What is the InChIKey of 2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]acetamide?
The InChIKey is BBILDZJCUPVDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-13(6-9(11)16)4-8(15)5-14-3-7(10)2-12-14/h2-3,8,15H,4-6,10H2,1H3,(H2,11,16).
What are the key properties of 2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]acetamide?
2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]acetamide has a molecular weight of 227.27 g/mol, XLogP of -1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]acetamide is sourced from PubChem (CID 43373776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).