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

C6H10N2O — CID 89147284

IUPAC1-(5-methyl-1H-pyrazol-3-yl)ethanol
SMILESCc1cc(C(C)O)n[nH]1
InChIInChI=1S/C6H10N2O/c1-4-3-6(5(2)9)8-7-4/h3,5,9H,1-2H3,(H,7,8)
InChIKeyDLZOVKXVVBTQQB-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.77
Rot. Bonds1

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

1-(5-methyl-1H-pyrazol-3-yl)ethanol (PubChem CID 89147284) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-3-yl)ethanol
PubChem CID89147284
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-(5-methyl-1H-pyrazol-3-yl)ethanol
SMILESCc1cc(C(C)O)n[nH]1
InChIInChI=1S/C6H10N2O/c1-4-3-6(5(2)9)8-7-4/h3,5,9H,1-2H3,(H,7,8)
InChIKeyDLZOVKXVVBTQQB-UHFFFAOYSA-N
XLogP0.77
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)ethanol?
The IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)ethanol (CID 89147284) is 1-(5-methyl-1H-pyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-3-yl)ethanol?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-3-yl)ethanol is Cc1cc(C(C)O)n[nH]1.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-3-yl)ethanol?
The InChIKey is DLZOVKXVVBTQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4-3-6(5(2)9)8-7-4/h3,5,9H,1-2H3,(H,7,8).
What are the key properties of 1-(5-methyl-1H-pyrazol-3-yl)ethanol?
1-(5-methyl-1H-pyrazol-3-yl)ethanol has a molecular weight of 126.16 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-3-yl)ethanol is sourced from PubChem (CID 89147284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).