2-amino-1-(1-methylpyrazol-4-yl)ethanol

C6H11N3O — CID 43209044

IUPAC2-amino-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(O)CN)cn1
InChIInChI=1S/C6H11N3O/c1-9-4-5(3-8-9)6(10)2-7/h3-4,6,10H,2,7H2,1H3
InChIKeyQKHNQZUVFSQKFD-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.59
Rot. Bonds2

About 2-amino-1-(1-methylpyrazol-4-yl)ethanol

2-amino-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 43209044) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-amino-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID43209044
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-amino-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(O)CN)cn1
InChIInChI=1S/C6H11N3O/c1-9-4-5(3-8-9)6(10)2-7/h3-4,6,10H,2,7H2,1H3
InChIKeyQKHNQZUVFSQKFD-UHFFFAOYSA-N
XLogP-0.59
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-amino-1-(1-methylpyrazol-4-yl)ethanol (CID 43209044) is 2-amino-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-amino-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-amino-1-(1-methylpyrazol-4-yl)ethanol is Cn1cc(C(O)CN)cn1.
What is the InChIKey of 2-amino-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is QKHNQZUVFSQKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-9-4-5(3-8-9)6(10)2-7/h3-4,6,10H,2,7H2,1H3.
What are the key properties of 2-amino-1-(1-methylpyrazol-4-yl)ethanol?
2-amino-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 141.17 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 43209044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).