2-chloro-4-(4-ethyl-5-phenyl-1H-pyrazol-3-yl)-6-fluorophenol

C17H14ClFN2O — CID 175772646

IUPAC2-chloro-4-(4-ethyl-5-phenyl-1H-pyrazol-3-yl)-6-fluorophenol
SMILESCCc1c(-c2cc(F)c(O)c(Cl)c2)n[nH]c1-c1ccccc1
InChIInChI=1S/C17H14ClFN2O/c1-2-12-15(10-6-4-3-5-7-10)20-21-16(12)11-8-13(18)17(22)14(19)9-11/h3-9,22H,2H2,1H3,(H,20,21)
InChIKeyNYLYBRYMBWLGJR-UHFFFAOYSA-N
MW316.76 g/mol
LogP4.80
Rot. Bonds3

About 2-chloro-4-(4-ethyl-5-phenyl-1H-pyrazol-3-yl)-6-fluorophenol

2-chloro-4-(4-ethyl-5-phenyl-1H-pyrazol-3-yl)-6-fluorophenol (PubChem CID 175772646) has the molecular formula C17H14ClFN2O and a molecular weight of 316.76 g/mol. Its IUPAC name is 2-chloro-4-(4-ethyl-5-phenyl-1H-pyrazol-3-yl)-6-fluorophenol.

Molecular Properties

Compound Name2-chloro-4-(4-ethyl-5-phenyl-1H-pyrazol-3-yl)-6-fluorophenol
PubChem CID175772646
Molecular FormulaC17H14ClFN2O
Molecular Weight316.76 g/mol
Exact Mass316.08
IUPAC Name2-chloro-4-(4-ethyl-5-phenyl-1H-pyrazol-3-yl)-6-fluorophenol
SMILESCCc1c(-c2cc(F)c(O)c(Cl)c2)n[nH]c1-c1ccccc1
InChIInChI=1S/C17H14ClFN2O/c1-2-12-15(10-6-4-3-5-7-10)20-21-16(12)11-8-13(18)17(22)14(19)9-11/h3-9,22H,2H2,1H3,(H,20,21)
InChIKeyNYLYBRYMBWLGJR-UHFFFAOYSA-N
XLogP4.80
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-ethyl-5-phenyl-1H-pyrazol-3-yl)-6-fluorophenol?
The IUPAC name of 2-chloro-4-(4-ethyl-5-phenyl-1H-pyrazol-3-yl)-6-fluorophenol (CID 175772646) is 2-chloro-4-(4-ethyl-5-phenyl-1H-pyrazol-3-yl)-6-fluorophenol.
What is the SMILES notation for 2-chloro-4-(4-ethyl-5-phenyl-1H-pyrazol-3-yl)-6-fluorophenol?
The canonical SMILES for 2-chloro-4-(4-ethyl-5-phenyl-1H-pyrazol-3-yl)-6-fluorophenol is CCc1c(-c2cc(F)c(O)c(Cl)c2)n[nH]c1-c1ccccc1.
What is the InChIKey of 2-chloro-4-(4-ethyl-5-phenyl-1H-pyrazol-3-yl)-6-fluorophenol?
The InChIKey is NYLYBRYMBWLGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O/c1-2-12-15(10-6-4-3-5-7-10)20-21-16(12)11-8-13(18)17(22)14(19)9-11/h3-9,22H,2H2,1H3,(H,20,21).
What are the key properties of 2-chloro-4-(4-ethyl-5-phenyl-1H-pyrazol-3-yl)-6-fluorophenol?
2-chloro-4-(4-ethyl-5-phenyl-1H-pyrazol-3-yl)-6-fluorophenol has a molecular weight of 316.76 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-ethyl-5-phenyl-1H-pyrazol-3-yl)-6-fluorophenol is sourced from PubChem (CID 175772646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).