[(4-fluoro-1H-pyrazol-5-yl)amino]methanol

C4H6FN3O — CID 89419007

IUPAC[(4-fluoro-1H-pyrazol-5-yl)amino]methanol
SMILESOCNc1[nH]ncc1F
InChIInChI=1S/C4H6FN3O/c5-3-1-7-8-4(3)6-2-9/h1,9H,2H2,(H2,6,7,8)
InChIKeyQMEOEXRADIPLJS-UHFFFAOYSA-N
MW131.11 g/mol
LogP-0.09
Rot. Bonds2

About [(4-fluoro-1H-pyrazol-5-yl)amino]methanol

[(4-fluoro-1H-pyrazol-5-yl)amino]methanol (PubChem CID 89419007) has the molecular formula C4H6FN3O and a molecular weight of 131.11 g/mol. Its IUPAC name is [(4-fluoro-1H-pyrazol-5-yl)amino]methanol.

Molecular Properties

Compound Name[(4-fluoro-1H-pyrazol-5-yl)amino]methanol
PubChem CID89419007
Molecular FormulaC4H6FN3O
Molecular Weight131.11 g/mol
Exact Mass131.05
IUPAC Name[(4-fluoro-1H-pyrazol-5-yl)amino]methanol
SMILESOCNc1[nH]ncc1F
InChIInChI=1S/C4H6FN3O/c5-3-1-7-8-4(3)6-2-9/h1,9H,2H2,(H2,6,7,8)
InChIKeyQMEOEXRADIPLJS-UHFFFAOYSA-N
XLogP-0.09
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.11
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4-fluoro-1H-pyrazol-5-yl)amino]methanol?
The IUPAC name of [(4-fluoro-1H-pyrazol-5-yl)amino]methanol (CID 89419007) is [(4-fluoro-1H-pyrazol-5-yl)amino]methanol.
What is the SMILES notation for [(4-fluoro-1H-pyrazol-5-yl)amino]methanol?
The canonical SMILES for [(4-fluoro-1H-pyrazol-5-yl)amino]methanol is OCNc1[nH]ncc1F.
What is the InChIKey of [(4-fluoro-1H-pyrazol-5-yl)amino]methanol?
The InChIKey is QMEOEXRADIPLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN3O/c5-3-1-7-8-4(3)6-2-9/h1,9H,2H2,(H2,6,7,8).
What are the key properties of [(4-fluoro-1H-pyrazol-5-yl)amino]methanol?
[(4-fluoro-1H-pyrazol-5-yl)amino]methanol has a molecular weight of 131.11 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluoro-1H-pyrazol-5-yl)amino]methanol is sourced from PubChem (CID 89419007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).