5-ethoxy-2-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]phenol

C18H17FN2O2 — CID 3721874

IUPAC5-ethoxy-2-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]phenol
SMILESCCOc1ccc(-c2n[nH]c(C)c2-c2ccc(F)cc2)c(O)c1
InChIInChI=1S/C18H17FN2O2/c1-3-23-14-8-9-15(16(22)10-14)18-17(11(2)20-21-18)12-4-6-13(19)7-5-12/h4-10,22H,3H2,1-2H3,(H,20,21)
InChIKeyBDIYLAGZQDBUQS-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.30
Rot. Bonds4

About 5-ethoxy-2-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]phenol

5-ethoxy-2-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]phenol (PubChem CID 3721874) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-ethoxy-2-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name5-ethoxy-2-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]phenol
PubChem CID3721874
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name5-ethoxy-2-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]phenol
SMILESCCOc1ccc(-c2n[nH]c(C)c2-c2ccc(F)cc2)c(O)c1
InChIInChI=1S/C18H17FN2O2/c1-3-23-14-8-9-15(16(22)10-14)18-17(11(2)20-21-18)12-4-6-13(19)7-5-12/h4-10,22H,3H2,1-2H3,(H,20,21)
InChIKeyBDIYLAGZQDBUQS-UHFFFAOYSA-N
XLogP4.30
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]phenol?
The IUPAC name of 5-ethoxy-2-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]phenol (CID 3721874) is 5-ethoxy-2-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 5-ethoxy-2-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 5-ethoxy-2-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]phenol is CCOc1ccc(-c2n[nH]c(C)c2-c2ccc(F)cc2)c(O)c1.
What is the InChIKey of 5-ethoxy-2-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]phenol?
The InChIKey is BDIYLAGZQDBUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-3-23-14-8-9-15(16(22)10-14)18-17(11(2)20-21-18)12-4-6-13(19)7-5-12/h4-10,22H,3H2,1-2H3,(H,20,21).
What are the key properties of 5-ethoxy-2-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]phenol?
5-ethoxy-2-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]phenol has a molecular weight of 312.34 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 3721874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).