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

C7H14N4O2 — CID 114988960

IUPAC2-[(5-amino-1H-pyrazol-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESNc1[nH]ncc1N(CCO)CCO
InChIInChI=1S/C7H14N4O2/c8-7-6(5-9-10-7)11(1-3-12)2-4-13/h5,12-13H,1-4H2,(H3,8,9,10)
InChIKeyVUXROVJXFAKTEI-UHFFFAOYSA-N
MW186.22 g/mol
LogP-1.22
Rot. Bonds5

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

2-[(5-amino-1H-pyrazol-4-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 114988960) has the molecular formula C7H14N4O2 and a molecular weight of 186.22 g/mol. Its IUPAC name is 2-[(5-amino-1H-pyrazol-4-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-1H-pyrazol-4-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID114988960
Molecular FormulaC7H14N4O2
Molecular Weight186.22 g/mol
Exact Mass186.11
IUPAC Name2-[(5-amino-1H-pyrazol-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESNc1[nH]ncc1N(CCO)CCO
InChIInChI=1S/C7H14N4O2/c8-7-6(5-9-10-7)11(1-3-12)2-4-13/h5,12-13H,1-4H2,(H3,8,9,10)
InChIKeyVUXROVJXFAKTEI-UHFFFAOYSA-N
XLogP-1.22
TPSA98.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 5-1.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,4-N-diethyl-1H-pyrazole-4,5-diamine
CID 82236212
4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-1H-pyrazole-4,5-diamine
CID 114995072
4-N-(cyclopropylmethyl)-4-N-propyl-1H-pyrazole-4,5-diamine
CID 114988228
4-N-propan-2-yl-4-N-propyl-1H-pyrazole-4,5-diamine
CID 82238136
2-[(3-amino-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 61245195
4-N,4-N-di(propan-2-yl)-1H-pyrazole-4,5-diamine
CID 140543332
2-[(5-amino-1H-indazol-6-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107491312
2-[(5-amino-1H-indazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107491314
3-[(5-amino-1H-pyrazol-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 114991577
2-[(2-amino-3-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 104540016
4-N-methyl-4-N-phenyl-1H-pyrazole-4,5-diamine
CID 82234896
4-[ethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one
CID 114393076

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-pyrazol-4-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(5-amino-1H-pyrazol-4-yl)-(2-hydroxyethyl)amino]ethanol (CID 114988960) is 2-[(5-amino-1H-pyrazol-4-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-amino-1H-pyrazol-4-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(5-amino-1H-pyrazol-4-yl)-(2-hydroxyethyl)amino]ethanol is Nc1[nH]ncc1N(CCO)CCO.
What is the InChIKey of 2-[(5-amino-1H-pyrazol-4-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is VUXROVJXFAKTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c8-7-6(5-9-10-7)11(1-3-12)2-4-13/h5,12-13H,1-4H2,(H3,8,9,10).
What are the key properties of 2-[(5-amino-1H-pyrazol-4-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(5-amino-1H-pyrazol-4-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 186.22 g/mol, XLogP of -1.22, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-pyrazol-4-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 114988960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).