2-(4,5-diaminopyrazol-1-yl)ethanol;2-methylbenzene-1,3-diol

C12H18N4O3 — CID 68563050

IUPAC2-(4,5-diaminopyrazol-1-yl)ethanol;2-methylbenzene-1,3-diol
SMILESCc1c(O)cccc1O.Nc1cnn(CCO)c1N
InChIInChI=1S/C7H8O2.C5H10N4O/c1-5-6(8)3-2-4-7(5)9;6-4-3-8-9(1-2-10)5(4)7/h2-4,8-9H,1H3;3,10H,1-2,6-7H2
InChIKeyRXUREYJVWSFFHP-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.45
Rot. Bonds2

About 2-(4,5-diaminopyrazol-1-yl)ethanol;2-methylbenzene-1,3-diol

2-(4,5-diaminopyrazol-1-yl)ethanol;2-methylbenzene-1,3-diol (PubChem CID 68563050) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4,5-diaminopyrazol-1-yl)ethanol;2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name2-(4,5-diaminopyrazol-1-yl)ethanol;2-methylbenzene-1,3-diol
PubChem CID68563050
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-(4,5-diaminopyrazol-1-yl)ethanol;2-methylbenzene-1,3-diol
SMILESCc1c(O)cccc1O.Nc1cnn(CCO)c1N
InChIInChI=1S/C7H8O2.C5H10N4O/c1-5-6(8)3-2-4-7(5)9;6-4-3-8-9(1-2-10)5(4)7/h2-4,8-9H,1H3;3,10H,1-2,6-7H2
InChIKeyRXUREYJVWSFFHP-UHFFFAOYSA-N
XLogP0.45
TPSA130.55 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4,5-diaminopyrazol-1-yl)ethanol;hydroxy hydrogen sulfite
CID 163507816
1-(3-aminopropyl)pyrazole-4,5-diamine
CID 22227390
2-methylbenzene-1,3-diol
CID 139200813
4-(4,5-diaminopyrazol-1-yl)butanamide
CID 58913950
2-(4,5-dimethylpyrazol-1-yl)ethanol
CID 58514590
1-(3-methoxybutyl)pyrazole-4,5-diamine
CID 58913917
2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol
CID 22918623
1-[4-(dimethylamino)-3-methylbutyl]pyrazole-4,5-diamine
CID 58913904
2-[2,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol;2-methylbenzene-1,3-diol
CID 157050422
1-(2-aminoprop-2-enyl)pyrazole-4,5-diamine
CID 21018096
1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol
CID 58980398
4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine
CID 160635766

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diaminopyrazol-1-yl)ethanol;2-methylbenzene-1,3-diol?
The IUPAC name of 2-(4,5-diaminopyrazol-1-yl)ethanol;2-methylbenzene-1,3-diol (CID 68563050) is 2-(4,5-diaminopyrazol-1-yl)ethanol;2-methylbenzene-1,3-diol.
What is the SMILES notation for 2-(4,5-diaminopyrazol-1-yl)ethanol;2-methylbenzene-1,3-diol?
The canonical SMILES for 2-(4,5-diaminopyrazol-1-yl)ethanol;2-methylbenzene-1,3-diol is Cc1c(O)cccc1O.Nc1cnn(CCO)c1N.
What is the InChIKey of 2-(4,5-diaminopyrazol-1-yl)ethanol;2-methylbenzene-1,3-diol?
The InChIKey is RXUREYJVWSFFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.C5H10N4O/c1-5-6(8)3-2-4-7(5)9;6-4-3-8-9(1-2-10)5(4)7/h2-4,8-9H,1H3;3,10H,1-2,6-7H2.
What are the key properties of 2-(4,5-diaminopyrazol-1-yl)ethanol;2-methylbenzene-1,3-diol?
2-(4,5-diaminopyrazol-1-yl)ethanol;2-methylbenzene-1,3-diol has a molecular weight of 266.30 g/mol, XLogP of 0.45, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diaminopyrazol-1-yl)ethanol;2-methylbenzene-1,3-diol is sourced from PubChem (CID 68563050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).