2-amino-2-(5-methyl-1H-pyrazol-3-yl)ethanol

C6H11N3O — CID 82594248

IUPAC2-amino-2-(5-methyl-1H-pyrazol-3-yl)ethanol
SMILESCc1cc(C(N)CO)n[nH]1
InChIInChI=1S/C6H11N3O/c1-4-2-6(9-8-4)5(7)3-10/h2,5,10H,3,7H2,1H3,(H,8,9)
InChIKeyVBNSXTLLJQXXOL-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.29
Rot. Bonds2

About 2-amino-2-(5-methyl-1H-pyrazol-3-yl)ethanol

2-amino-2-(5-methyl-1H-pyrazol-3-yl)ethanol (PubChem CID 82594248) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-amino-2-(5-methyl-1H-pyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(5-methyl-1H-pyrazol-3-yl)ethanol
PubChem CID82594248
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-amino-2-(5-methyl-1H-pyrazol-3-yl)ethanol
SMILESCc1cc(C(N)CO)n[nH]1
InChIInChI=1S/C6H11N3O/c1-4-2-6(9-8-4)5(7)3-10/h2,5,10H,3,7H2,1H3,(H,8,9)
InChIKeyVBNSXTLLJQXXOL-UHFFFAOYSA-N
XLogP-0.29
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-methyl-1H-pyrazol-3-yl)ethanol?
The IUPAC name of 2-amino-2-(5-methyl-1H-pyrazol-3-yl)ethanol (CID 82594248) is 2-amino-2-(5-methyl-1H-pyrazol-3-yl)ethanol.
What is the SMILES notation for 2-amino-2-(5-methyl-1H-pyrazol-3-yl)ethanol?
The canonical SMILES for 2-amino-2-(5-methyl-1H-pyrazol-3-yl)ethanol is Cc1cc(C(N)CO)n[nH]1.
What is the InChIKey of 2-amino-2-(5-methyl-1H-pyrazol-3-yl)ethanol?
The InChIKey is VBNSXTLLJQXXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4-2-6(9-8-4)5(7)3-10/h2,5,10H,3,7H2,1H3,(H,8,9).
What are the key properties of 2-amino-2-(5-methyl-1H-pyrazol-3-yl)ethanol?
2-amino-2-(5-methyl-1H-pyrazol-3-yl)ethanol has a molecular weight of 141.17 g/mol, XLogP of -0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-methyl-1H-pyrazol-3-yl)ethanol is sourced from PubChem (CID 82594248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).