2-[2-(3-aminopyrazol-1-yl)ethyl-methylamino]-N-propan-2-ylacetamide

C11H21N5O — CID 63316097

IUPAC2-[2-(3-aminopyrazol-1-yl)ethyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CCn1ccc(N)n1
InChIInChI=1S/C11H21N5O/c1-9(2)13-11(17)8-15(3)6-7-16-5-4-10(12)14-16/h4-5,9H,6-8H2,1-3H3,(H2,12,14)(H,13,17)
InChIKeyGDOYLUDAVGKHTC-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.08
Rot. Bonds6

About 2-[2-(3-aminopyrazol-1-yl)ethyl-methylamino]-N-propan-2-ylacetamide

2-[2-(3-aminopyrazol-1-yl)ethyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 63316097) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[2-(3-aminopyrazol-1-yl)ethyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-aminopyrazol-1-yl)ethyl-methylamino]-N-propan-2-ylacetamide
PubChem CID63316097
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[2-(3-aminopyrazol-1-yl)ethyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CCn1ccc(N)n1
InChIInChI=1S/C11H21N5O/c1-9(2)13-11(17)8-15(3)6-7-16-5-4-10(12)14-16/h4-5,9H,6-8H2,1-3H3,(H2,12,14)(H,13,17)
InChIKeyGDOYLUDAVGKHTC-UHFFFAOYSA-N
XLogP-0.08
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-aminopyrazol-1-yl)ethyl-methylamino]-N-cyclopropylacetamide
CID 55206025
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-aminopyrazol-1-yl)acetate
CID 55035689
2-[2-(3-aminopyrazol-1-yl)ethyl-ethylamino]-N-ethylacetamide
CID 55203927
1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine
CID 63318104
1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine
CID 63318061
1-[2-[methyl(pentan-2-yl)amino]ethyl]pyrazol-3-amine
CID 63318328
2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide
CID 62101706
2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 115978164
2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide
CID 83176621
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
2-[2-(3-aminopyrazol-1-yl)ethyl-cyclopentylamino]acetamide
CID 63315835
2-(3-aminopyrazol-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 62101395

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopyrazol-1-yl)ethyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3-aminopyrazol-1-yl)ethyl-methylamino]-N-propan-2-ylacetamide (CID 63316097) is 2-[2-(3-aminopyrazol-1-yl)ethyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3-aminopyrazol-1-yl)ethyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3-aminopyrazol-1-yl)ethyl-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)CCn1ccc(N)n1.
What is the InChIKey of 2-[2-(3-aminopyrazol-1-yl)ethyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is GDOYLUDAVGKHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-9(2)13-11(17)8-15(3)6-7-16-5-4-10(12)14-16/h4-5,9H,6-8H2,1-3H3,(H2,12,14)(H,13,17).
What are the key properties of 2-[2-(3-aminopyrazol-1-yl)ethyl-methylamino]-N-propan-2-ylacetamide?
2-[2-(3-aminopyrazol-1-yl)ethyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 239.32 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopyrazol-1-yl)ethyl-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 63316097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).