4-(3,5-dimethylpyrazol-1-yl)-2-fluorophenol

C11H11FN2O — CID 172582982

IUPAC4-(3,5-dimethylpyrazol-1-yl)-2-fluorophenol
SMILESCc1cc(C)n(-c2ccc(O)c(F)c2)n1
InChIInChI=1S/C11H11FN2O/c1-7-5-8(2)14(13-7)9-3-4-11(15)10(12)6-9/h3-6,15H,1-2H3
InChIKeySLIBRLBARGUPBV-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.33
Rot. Bonds1

About 4-(3,5-dimethylpyrazol-1-yl)-2-fluorophenol

4-(3,5-dimethylpyrazol-1-yl)-2-fluorophenol (PubChem CID 172582982) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-2-fluorophenol.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-2-fluorophenol
PubChem CID172582982
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-2-fluorophenol
SMILESCc1cc(C)n(-c2ccc(O)c(F)c2)n1
InChIInChI=1S/C11H11FN2O/c1-7-5-8(2)14(13-7)9-3-4-11(15)10(12)6-9/h3-6,15H,1-2H3
InChIKeySLIBRLBARGUPBV-UHFFFAOYSA-N
XLogP2.33
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-fluorophenol?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-fluorophenol (CID 172582982) is 4-(3,5-dimethylpyrazol-1-yl)-2-fluorophenol.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-2-fluorophenol?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-2-fluorophenol is Cc1cc(C)n(-c2ccc(O)c(F)c2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-2-fluorophenol?
The InChIKey is SLIBRLBARGUPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-7-5-8(2)14(13-7)9-3-4-11(15)10(12)6-9/h3-6,15H,1-2H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-2-fluorophenol?
4-(3,5-dimethylpyrazol-1-yl)-2-fluorophenol has a molecular weight of 206.22 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-2-fluorophenol is sourced from PubChem (CID 172582982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).