[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanediol

C10H9FN2O2 — CID 56992501

IUPAC[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanediol
SMILESOC(O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C10H9FN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5,10,14-15H,(H,12,13)
InChIKeyIUCKSZIBMOBVLU-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.20
Rot. Bonds2

About [3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanediol

[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanediol (PubChem CID 56992501) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanediol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanediol
PubChem CID56992501
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanediol
SMILESOC(O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C10H9FN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5,10,14-15H,(H,12,13)
InChIKeyIUCKSZIBMOBVLU-UHFFFAOYSA-N
XLogP1.20
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.20
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 [3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanediol?
The IUPAC name of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanediol (CID 56992501) is [3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanediol.
What is the SMILES notation for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanediol?
The canonical SMILES for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanediol is OC(O)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanediol?
The InChIKey is IUCKSZIBMOBVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5,10,14-15H,(H,12,13).
What are the key properties of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanediol?
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanediol has a molecular weight of 208.19 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanediol is sourced from PubChem (CID 56992501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).