2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol

C18H17FN2O — CID 135465501

IUPAC2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol
SMILESCc1cc(O)c(-c2cc(C)n(-c3ccccc3F)n2)cc1C
InChIInChI=1S/C18H17FN2O/c1-11-8-14(18(22)9-12(11)2)16-10-13(3)21(20-16)17-7-5-4-6-15(17)19/h4-10,22H,1-3H3
InChIKeyUGNMWSLGJXVEDE-UHFFFAOYSA-N
MW296.34 g/mol
LogP4.31
Rot. Bonds2

About 2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol

2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol (PubChem CID 135465501) has the molecular formula C18H17FN2O and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol
PubChem CID135465501
Molecular FormulaC18H17FN2O
Molecular Weight296.34 g/mol
Exact Mass296.13
IUPAC Name2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol
SMILESCc1cc(O)c(-c2cc(C)n(-c3ccccc3F)n2)cc1C
InChIInChI=1S/C18H17FN2O/c1-11-8-14(18(22)9-12(11)2)16-10-13(3)21(20-16)17-7-5-4-6-15(17)19/h4-10,22H,1-3H3
InChIKeyUGNMWSLGJXVEDE-UHFFFAOYSA-N
XLogP4.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol?
The IUPAC name of 2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol (CID 135465501) is 2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol.
What is the SMILES notation for 2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol?
The canonical SMILES for 2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol is Cc1cc(O)c(-c2cc(C)n(-c3ccccc3F)n2)cc1C.
What is the InChIKey of 2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol?
The InChIKey is UGNMWSLGJXVEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-11-8-14(18(22)9-12(11)2)16-10-13(3)21(20-16)17-7-5-4-6-15(17)19/h4-10,22H,1-3H3.
What are the key properties of 2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol?
2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol has a molecular weight of 296.34 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4,5-dimethylphenol is sourced from PubChem (CID 135465501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).