2-[4-[2-[4-amino-5-(methylamino)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol

C12H24N6O — CID 58914000

IUPAC2-[4-[2-[4-amino-5-(methylamino)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol
SMILESCNc1c(N)cnn1CCN1CCN(CCO)CC1
InChIInChI=1S/C12H24N6O/c1-14-12-11(13)10-15-18(12)7-6-16-2-4-17(5-3-16)8-9-19/h10,14,19H,2-9,13H2,1H3
InChIKeyLELYZTXHPOVNGJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.88
Rot. Bonds6

About 2-[4-[2-[4-amino-5-(methylamino)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol

2-[4-[2-[4-amino-5-(methylamino)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol (PubChem CID 58914000) has the molecular formula C12H24N6O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[4-[2-[4-amino-5-(methylamino)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-[4-amino-5-(methylamino)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol
PubChem CID58914000
Molecular FormulaC12H24N6O
Molecular Weight268.36 g/mol
Exact Mass268.20
IUPAC Name2-[4-[2-[4-amino-5-(methylamino)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol
SMILESCNc1c(N)cnn1CCN1CCN(CCO)CC1
InChIInChI=1S/C12H24N6O/c1-14-12-11(13)10-15-18(12)7-6-16-2-4-17(5-3-16)8-9-19/h10,14,19H,2-9,13H2,1H3
InChIKeyLELYZTXHPOVNGJ-UHFFFAOYSA-N
XLogP-0.88
TPSA82.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol
CID 22918623
2-[4-amino-5-(methylamino)pyrazol-1-yl]acetic acid
CID 58913994
chloro hypochlorite;1-(2-methoxyethyl)-5-N-methylpyrazole-4,5-diamine
CID 159662836
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol
CID 83265901
2-[4-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501308
2-[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]ethanol
CID 95817134
2-[4-amino-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyrazol-1-yl]ethanol
CID 68547617
2-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanol
CID 107226786
2-[4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]ethanol
CID 64606200
1-[2-(dimethylamino)ethyl]-5-N-ethylpyrazole-4,5-diamine
CID 58914028
2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19137084

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-amino-5-(methylamino)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-[4-amino-5-(methylamino)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol (CID 58914000) is 2-[4-[2-[4-amino-5-(methylamino)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-[4-amino-5-(methylamino)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-[4-amino-5-(methylamino)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol is CNc1c(N)cnn1CCN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[2-[4-amino-5-(methylamino)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol?
The InChIKey is LELYZTXHPOVNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O/c1-14-12-11(13)10-15-18(12)7-6-16-2-4-17(5-3-16)8-9-19/h10,14,19H,2-9,13H2,1H3.
What are the key properties of 2-[4-[2-[4-amino-5-(methylamino)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol?
2-[4-[2-[4-amino-5-(methylamino)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol has a molecular weight of 268.36 g/mol, XLogP of -0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-amino-5-(methylamino)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 58914000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).