2-[2-(3-aminopyrazol-1-yl)ethyl-ethylamino]-N-ethylacetamide

C11H21N5O — CID 55203927

IUPAC2-[2-(3-aminopyrazol-1-yl)ethyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)CCn1ccc(N)n1
InChIInChI=1S/C11H21N5O/c1-3-13-11(17)9-15(4-2)7-8-16-6-5-10(12)14-16/h5-6H,3-4,7-9H2,1-2H3,(H2,12,14)(H,13,17)
InChIKeyBQQJRBDUNCZCFS-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.08
Rot. Bonds7

About 2-[2-(3-aminopyrazol-1-yl)ethyl-ethylamino]-N-ethylacetamide

2-[2-(3-aminopyrazol-1-yl)ethyl-ethylamino]-N-ethylacetamide (PubChem CID 55203927) 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-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(3-aminopyrazol-1-yl)ethyl-ethylamino]-N-ethylacetamide
PubChem CID55203927
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[2-(3-aminopyrazol-1-yl)ethyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)CCn1ccc(N)n1
InChIInChI=1S/C11H21N5O/c1-3-13-11(17)9-15(4-2)7-8-16-6-5-10(12)14-16/h5-6H,3-4,7-9H2,1-2H3,(H2,12,14)(H,13,17)
InChIKeyBQQJRBDUNCZCFS-UHFFFAOYSA-N
XLogP-0.08
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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-propan-2-ylacetamide
CID 63316097
2-[2-(3-aminopyrazol-1-yl)ethyl-butylamino]ethanol
CID 63316054
2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide
CID 62465226
2-[2-(3-aminopyrazol-1-yl)ethyl-methylamino]-N-cyclopropylacetamide
CID 55206025
2-[4-[2-(3-aminopyrazol-1-yl)acetyl]piperazin-1-yl]-N-ethylacetamide
CID 62113895
3-(3-aminopyrazol-1-yl)propanoic acid;hydrochloride
CID 90482953
1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine
CID 63318104
1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine
CID 63318061
2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide
CID 54939808
2-[2-(4-aminopyrazol-1-yl)ethyl-ethylamino]acetamide
CID 103101391
1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine
CID 63310545
1-(2-ethylsulfonylethyl)pyrazol-3-amine
CID 54594595

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopyrazol-1-yl)ethyl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[2-(3-aminopyrazol-1-yl)ethyl-ethylamino]-N-ethylacetamide (CID 55203927) is 2-[2-(3-aminopyrazol-1-yl)ethyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[2-(3-aminopyrazol-1-yl)ethyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[2-(3-aminopyrazol-1-yl)ethyl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)CCn1ccc(N)n1.
What is the InChIKey of 2-[2-(3-aminopyrazol-1-yl)ethyl-ethylamino]-N-ethylacetamide?
The InChIKey is BQQJRBDUNCZCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-3-13-11(17)9-15(4-2)7-8-16-6-5-10(12)14-16/h5-6H,3-4,7-9H2,1-2H3,(H2,12,14)(H,13,17).
What are the key properties of 2-[2-(3-aminopyrazol-1-yl)ethyl-ethylamino]-N-ethylacetamide?
2-[2-(3-aminopyrazol-1-yl)ethyl-ethylamino]-N-ethylacetamide has a molecular weight of 239.32 g/mol, XLogP of -0.08, 7 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-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 55203927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).