1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)ethanol

C6H9FN2O — CID 89147286

IUPAC1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)ethanol
SMILESCc1[nH]nc(C(C)O)c1F
InChIInChI=1S/C6H9FN2O/c1-3-5(7)6(4(2)10)9-8-3/h4,10H,1-2H3,(H,8,9)
InChIKeyLMRSYBCKVBILNQ-UHFFFAOYSA-N
MW144.15 g/mol
LogP0.91
Rot. Bonds1

About 1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)ethanol

1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)ethanol (PubChem CID 89147286) has the molecular formula C6H9FN2O and a molecular weight of 144.15 g/mol. Its IUPAC name is 1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)ethanol
PubChem CID89147286
Molecular FormulaC6H9FN2O
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)ethanol
SMILESCc1[nH]nc(C(C)O)c1F
InChIInChI=1S/C6H9FN2O/c1-3-5(7)6(4(2)10)9-8-3/h4,10H,1-2H3,(H,8,9)
InChIKeyLMRSYBCKVBILNQ-UHFFFAOYSA-N
XLogP0.91
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)ethanol?
The IUPAC name of 1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)ethanol (CID 89147286) is 1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)ethanol?
The canonical SMILES for 1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)ethanol is Cc1[nH]nc(C(C)O)c1F.
What is the InChIKey of 1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)ethanol?
The InChIKey is LMRSYBCKVBILNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O/c1-3-5(7)6(4(2)10)9-8-3/h4,10H,1-2H3,(H,8,9).
What are the key properties of 1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)ethanol?
1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)ethanol has a molecular weight of 144.15 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)ethanol is sourced from PubChem (CID 89147286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).