2-[2-(3-aminopyrazol-1-yl)ethyl-butylamino]ethanol

C11H22N4O — CID 63316054

IUPAC2-[2-(3-aminopyrazol-1-yl)ethyl-butylamino]ethanol
SMILESCCCCN(CCO)CCn1ccc(N)n1
InChIInChI=1S/C11H22N4O/c1-2-3-5-14(9-10-16)7-8-15-6-4-11(12)13-15/h4,6,16H,2-3,5,7-10H2,1H3,(H2,12,13)
InChIKeyZSUYGQSWTBKTLZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.56
Rot. Bonds8

About 2-[2-(3-aminopyrazol-1-yl)ethyl-butylamino]ethanol

2-[2-(3-aminopyrazol-1-yl)ethyl-butylamino]ethanol (PubChem CID 63316054) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[2-(3-aminopyrazol-1-yl)ethyl-butylamino]ethanol.

Molecular Properties

Compound Name2-[2-(3-aminopyrazol-1-yl)ethyl-butylamino]ethanol
PubChem CID63316054
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name2-[2-(3-aminopyrazol-1-yl)ethyl-butylamino]ethanol
SMILESCCCCN(CCO)CCn1ccc(N)n1
InChIInChI=1S/C11H22N4O/c1-2-3-5-14(9-10-16)7-8-15-6-4-11(12)13-15/h4,6,16H,2-3,5,7-10H2,1H3,(H2,12,13)
InChIKeyZSUYGQSWTBKTLZ-UHFFFAOYSA-N
XLogP0.56
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine
CID 63318104
2-[2-(3-aminopyrazol-1-yl)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478696
1-[3-[butyl(methyl)amino]propyl]pyrazol-3-amine
CID 63310307
1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine
CID 63318061
3-(3-aminopyrazol-1-yl)propan-1-ol
CID 50989707
1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine
CID 63310545
1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine
CID 63310706
2-[2-(3-aminopyrazol-1-yl)ethyl-ethylamino]-N-ethylacetamide
CID 55203927
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
1-[2-[methyl(pentan-2-yl)amino]ethyl]pyrazol-3-amine
CID 63318328
2-[butyl-[2-(2-methylimidazol-1-yl)ethyl]amino]ethanol
CID 62013858
2-(3-aminopyrazol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62102871

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopyrazol-1-yl)ethyl-butylamino]ethanol?
The IUPAC name of 2-[2-(3-aminopyrazol-1-yl)ethyl-butylamino]ethanol (CID 63316054) is 2-[2-(3-aminopyrazol-1-yl)ethyl-butylamino]ethanol.
What is the SMILES notation for 2-[2-(3-aminopyrazol-1-yl)ethyl-butylamino]ethanol?
The canonical SMILES for 2-[2-(3-aminopyrazol-1-yl)ethyl-butylamino]ethanol is CCCCN(CCO)CCn1ccc(N)n1.
What is the InChIKey of 2-[2-(3-aminopyrazol-1-yl)ethyl-butylamino]ethanol?
The InChIKey is ZSUYGQSWTBKTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-2-3-5-14(9-10-16)7-8-15-6-4-11(12)13-15/h4,6,16H,2-3,5,7-10H2,1H3,(H2,12,13).
What are the key properties of 2-[2-(3-aminopyrazol-1-yl)ethyl-butylamino]ethanol?
2-[2-(3-aminopyrazol-1-yl)ethyl-butylamino]ethanol has a molecular weight of 226.32 g/mol, XLogP of 0.56, 8 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-butylamino]ethanol is sourced from PubChem (CID 63316054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).