2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-N-methylacetamide

C11H21N5O2 — CID 43574922

IUPAC2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)CC(O)Cn1cc(N)cn1
InChIInChI=1S/C11H21N5O2/c1-3-15(8-11(18)13-2)6-10(17)7-16-5-9(12)4-14-16/h4-5,10,17H,3,6-8,12H2,1-2H3,(H,13,18)
InChIKeyFKHSXBBJCQIQOJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP-1.11
Rot. Bonds7

About 2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-N-methylacetamide

2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-N-methylacetamide (PubChem CID 43574922) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-N-methylacetamide
PubChem CID43574922
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)CC(O)Cn1cc(N)cn1
InChIInChI=1S/C11H21N5O2/c1-3-15(8-11(18)13-2)6-10(17)7-16-5-9(12)4-14-16/h4-5,10,17H,3,6-8,12H2,1-2H3,(H,13,18)
InChIKeyFKHSXBBJCQIQOJ-UHFFFAOYSA-N
XLogP-1.11
TPSA96.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-N-methylacetamide (CID 43574922) is 2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)CC(O)Cn1cc(N)cn1.
What is the InChIKey of 2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-N-methylacetamide?
The InChIKey is FKHSXBBJCQIQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-3-15(8-11(18)13-2)6-10(17)7-16-5-9(12)4-14-16/h4-5,10,17H,3,6-8,12H2,1-2H3,(H,13,18).
What are the key properties of 2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-N-methylacetamide?
2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-N-methylacetamide has a molecular weight of 255.32 g/mol, XLogP of -1.11, 7 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]-ethylamino]-N-methylacetamide is sourced from PubChem (CID 43574922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).