4-ethyl-2-[4-(2-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-methylphenol

C19H19FN2O2 — CID 135503160

IUPAC4-ethyl-2-[4-(2-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-methylphenol
SMILESCCc1cc(-c2n[nH]c(C)c2Oc2ccccc2F)c(O)cc1C
InChIInChI=1S/C19H19FN2O2/c1-4-13-10-14(16(23)9-11(13)2)18-19(12(3)21-22-18)24-17-8-6-5-7-15(17)20/h5-10,23H,4H2,1-3H3,(H,21,22)
InChIKeyFNRHDIDEWDPPQH-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.89
Rot. Bonds4

About 4-ethyl-2-[4-(2-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-methylphenol

4-ethyl-2-[4-(2-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-methylphenol (PubChem CID 135503160) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 4-ethyl-2-[4-(2-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-methylphenol.

Molecular Properties

Compound Name4-ethyl-2-[4-(2-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-methylphenol
PubChem CID135503160
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name4-ethyl-2-[4-(2-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-methylphenol
SMILESCCc1cc(-c2n[nH]c(C)c2Oc2ccccc2F)c(O)cc1C
InChIInChI=1S/C19H19FN2O2/c1-4-13-10-14(16(23)9-11(13)2)18-19(12(3)21-22-18)24-17-8-6-5-7-15(17)20/h5-10,23H,4H2,1-3H3,(H,21,22)
InChIKeyFNRHDIDEWDPPQH-UHFFFAOYSA-N
XLogP4.89
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[4-(2-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-methylphenol?
The IUPAC name of 4-ethyl-2-[4-(2-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-methylphenol (CID 135503160) is 4-ethyl-2-[4-(2-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-methylphenol.
What is the SMILES notation for 4-ethyl-2-[4-(2-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-methylphenol?
The canonical SMILES for 4-ethyl-2-[4-(2-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-methylphenol is CCc1cc(-c2n[nH]c(C)c2Oc2ccccc2F)c(O)cc1C.
What is the InChIKey of 4-ethyl-2-[4-(2-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-methylphenol?
The InChIKey is FNRHDIDEWDPPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-4-13-10-14(16(23)9-11(13)2)18-19(12(3)21-22-18)24-17-8-6-5-7-15(17)20/h5-10,23H,4H2,1-3H3,(H,21,22).
What are the key properties of 4-ethyl-2-[4-(2-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-methylphenol?
4-ethyl-2-[4-(2-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-methylphenol has a molecular weight of 326.37 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[4-(2-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-methylphenol is sourced from PubChem (CID 135503160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).