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

C7H14N4O2 — CID 66968746

IUPAC2-amino-1-[5-(2-amino-1-hydroxyethyl)-1H-pyrazol-4-yl]ethanol
SMILESNCC(O)c1cn[nH]c1C(O)CN
InChIInChI=1S/C7H14N4O2/c8-1-5(12)4-3-10-11-7(4)6(13)2-9/h3,5-6,12-13H,1-2,8-9H2,(H,10,11)
InChIKeyBOSXCWONZBWQMH-UHFFFAOYSA-N
MW186.22 g/mol
LogP-1.61
Rot. Bonds4

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

2-amino-1-[5-(2-amino-1-hydroxyethyl)-1H-pyrazol-4-yl]ethanol (PubChem CID 66968746) has the molecular formula C7H14N4O2 and a molecular weight of 186.22 g/mol. Its IUPAC name is 2-amino-1-[5-(2-amino-1-hydroxyethyl)-1H-pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[5-(2-amino-1-hydroxyethyl)-1H-pyrazol-4-yl]ethanol
PubChem CID66968746
Molecular FormulaC7H14N4O2
Molecular Weight186.22 g/mol
Exact Mass186.11
IUPAC Name2-amino-1-[5-(2-amino-1-hydroxyethyl)-1H-pyrazol-4-yl]ethanol
SMILESNCC(O)c1cn[nH]c1C(O)CN
InChIInChI=1S/C7H14N4O2/c8-1-5(12)4-3-10-11-7(4)6(13)2-9/h3,5-6,12-13H,1-2,8-9H2,(H,10,11)
InChIKeyBOSXCWONZBWQMH-UHFFFAOYSA-N
XLogP-1.61
TPSA121.18 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 5-1.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-[5-(2-amino-1-hydroxyethyl)-1H-pyrazol-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[5-(2-amino-1-hydroxyethyl)-1H-pyrazol-4-yl]ethanol?
The IUPAC name of 2-amino-1-[5-(2-amino-1-hydroxyethyl)-1H-pyrazol-4-yl]ethanol (CID 66968746) is 2-amino-1-[5-(2-amino-1-hydroxyethyl)-1H-pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-1-[5-(2-amino-1-hydroxyethyl)-1H-pyrazol-4-yl]ethanol?
The canonical SMILES for 2-amino-1-[5-(2-amino-1-hydroxyethyl)-1H-pyrazol-4-yl]ethanol is NCC(O)c1cn[nH]c1C(O)CN.
What is the InChIKey of 2-amino-1-[5-(2-amino-1-hydroxyethyl)-1H-pyrazol-4-yl]ethanol?
The InChIKey is BOSXCWONZBWQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c8-1-5(12)4-3-10-11-7(4)6(13)2-9/h3,5-6,12-13H,1-2,8-9H2,(H,10,11).
What are the key properties of 2-amino-1-[5-(2-amino-1-hydroxyethyl)-1H-pyrazol-4-yl]ethanol?
2-amino-1-[5-(2-amino-1-hydroxyethyl)-1H-pyrazol-4-yl]ethanol has a molecular weight of 186.22 g/mol, XLogP of -1.61, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[5-(2-amino-1-hydroxyethyl)-1H-pyrazol-4-yl]ethanol is sourced from PubChem (CID 66968746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).