2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol

C7H14N4O2 — CID 22918623

IUPAC2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol
SMILESNc1cnn(CCO)c1NCCO
InChIInChI=1S/C7H14N4O2/c8-6-5-10-11(2-4-13)7(6)9-1-3-12/h5,9,12-13H,1-4,8H2
InChIKeyJJIDNISCWDVNGB-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.14
Rot. Bonds5

About 2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol

2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol (PubChem CID 22918623) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol
PubChem CID22918623
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC Name2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol
SMILESNc1cnn(CCO)c1NCCO
InChIInChI=1S/C7H14N4O2/c8-6-5-10-11(2-4-13)7(6)9-1-3-12/h5,9,12-13H,1-4,8H2
InChIKeyJJIDNISCWDVNGB-UHFFFAOYSA-N
XLogP-1.14
TPSA96.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol?
The IUPAC name of 2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol (CID 22918623) is 2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol?
The canonical SMILES for 2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol is Nc1cnn(CCO)c1NCCO.
What is the InChIKey of 2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol?
The InChIKey is JJIDNISCWDVNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c8-6-5-10-11(2-4-13)7(6)9-1-3-12/h5,9,12-13H,1-4,8H2.
What are the key properties of 2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol?
2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol has a molecular weight of 186.21 g/mol, XLogP of -1.14, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol is sourced from PubChem (CID 22918623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).