3-fluoro-5-(1-methylpyrazol-4-yl)phenol

C10H9FN2O — CID 83130417

IUPAC3-fluoro-5-(1-methylpyrazol-4-yl)phenol
SMILESCn1cc(-c2cc(O)cc(F)c2)cn1
InChIInChI=1S/C10H9FN2O/c1-13-6-8(5-12-13)7-2-9(11)4-10(14)3-7/h2-6,14H,1H3
InChIKeyWZDUSAFDXDQZOB-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.93
Rot. Bonds1

About 3-fluoro-5-(1-methylpyrazol-4-yl)phenol

3-fluoro-5-(1-methylpyrazol-4-yl)phenol (PubChem CID 83130417) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 3-fluoro-5-(1-methylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name3-fluoro-5-(1-methylpyrazol-4-yl)phenol
PubChem CID83130417
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name3-fluoro-5-(1-methylpyrazol-4-yl)phenol
SMILESCn1cc(-c2cc(O)cc(F)c2)cn1
InChIInChI=1S/C10H9FN2O/c1-13-6-8(5-12-13)7-2-9(11)4-10(14)3-7/h2-6,14H,1H3
InChIKeyWZDUSAFDXDQZOB-UHFFFAOYSA-N
XLogP1.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(1-methylpyrazol-4-yl)phenol?
The IUPAC name of 3-fluoro-5-(1-methylpyrazol-4-yl)phenol (CID 83130417) is 3-fluoro-5-(1-methylpyrazol-4-yl)phenol.
What is the SMILES notation for 3-fluoro-5-(1-methylpyrazol-4-yl)phenol?
The canonical SMILES for 3-fluoro-5-(1-methylpyrazol-4-yl)phenol is Cn1cc(-c2cc(O)cc(F)c2)cn1.
What is the InChIKey of 3-fluoro-5-(1-methylpyrazol-4-yl)phenol?
The InChIKey is WZDUSAFDXDQZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-13-6-8(5-12-13)7-2-9(11)4-10(14)3-7/h2-6,14H,1H3.
What are the key properties of 3-fluoro-5-(1-methylpyrazol-4-yl)phenol?
3-fluoro-5-(1-methylpyrazol-4-yl)phenol has a molecular weight of 192.19 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(1-methylpyrazol-4-yl)phenol is sourced from PubChem (CID 83130417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).