2-fluoro-4-(1-methylpyrazol-4-yl)phenol

C10H9FN2O — CID 83131021

IUPAC2-fluoro-4-(1-methylpyrazol-4-yl)phenol
SMILESCn1cc(-c2ccc(O)c(F)c2)cn1
InChIInChI=1S/C10H9FN2O/c1-13-6-8(5-12-13)7-2-3-10(14)9(11)4-7/h2-6,14H,1H3
InChIKeyVFURGGWKWFOMCT-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.93
Rot. Bonds1

About 2-fluoro-4-(1-methylpyrazol-4-yl)phenol

2-fluoro-4-(1-methylpyrazol-4-yl)phenol (PubChem CID 83131021) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-fluoro-4-(1-methylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-fluoro-4-(1-methylpyrazol-4-yl)phenol
PubChem CID83131021
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name2-fluoro-4-(1-methylpyrazol-4-yl)phenol
SMILESCn1cc(-c2ccc(O)c(F)c2)cn1
InChIInChI=1S/C10H9FN2O/c1-13-6-8(5-12-13)7-2-3-10(14)9(11)4-7/h2-6,14H,1H3
InChIKeyVFURGGWKWFOMCT-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 2-fluoro-4-(1-methylpyrazol-4-yl)phenol?
The IUPAC name of 2-fluoro-4-(1-methylpyrazol-4-yl)phenol (CID 83131021) is 2-fluoro-4-(1-methylpyrazol-4-yl)phenol.
What is the SMILES notation for 2-fluoro-4-(1-methylpyrazol-4-yl)phenol?
The canonical SMILES for 2-fluoro-4-(1-methylpyrazol-4-yl)phenol is Cn1cc(-c2ccc(O)c(F)c2)cn1.
What is the InChIKey of 2-fluoro-4-(1-methylpyrazol-4-yl)phenol?
The InChIKey is VFURGGWKWFOMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-13-6-8(5-12-13)7-2-3-10(14)9(11)4-7/h2-6,14H,1H3.
What are the key properties of 2-fluoro-4-(1-methylpyrazol-4-yl)phenol?
2-fluoro-4-(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 2-fluoro-4-(1-methylpyrazol-4-yl)phenol is sourced from PubChem (CID 83131021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).