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

C17H14ClFN2O — CID 175772647

IUPAC6-chloro-3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)-2-fluorophenol
SMILESCCc1c(-c2ccccc2)n[nH]c1-c1ccc(Cl)c(O)c1F
InChIInChI=1S/C17H14ClFN2O/c1-2-11-15(10-6-4-3-5-7-10)20-21-16(11)12-8-9-13(18)17(22)14(12)19/h3-9,22H,2H2,1H3,(H,20,21)
InChIKeyZEDUTRUVGUBSDW-UHFFFAOYSA-N
MW316.76 g/mol
LogP4.80
Rot. Bonds3

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

6-chloro-3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)-2-fluorophenol (PubChem CID 175772647) has the molecular formula C17H14ClFN2O and a molecular weight of 316.76 g/mol. Its IUPAC name is 6-chloro-3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)-2-fluorophenol.

Molecular Properties

Compound Name6-chloro-3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)-2-fluorophenol
PubChem CID175772647
Molecular FormulaC17H14ClFN2O
Molecular Weight316.76 g/mol
Exact Mass316.08
IUPAC Name6-chloro-3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)-2-fluorophenol
SMILESCCc1c(-c2ccccc2)n[nH]c1-c1ccc(Cl)c(O)c1F
InChIInChI=1S/C17H14ClFN2O/c1-2-11-15(10-6-4-3-5-7-10)20-21-16(11)12-8-9-13(18)17(22)14(12)19/h3-9,22H,2H2,1H3,(H,20,21)
InChIKeyZEDUTRUVGUBSDW-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol
CID 699643
2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-5-methylphenol
CID 698916
3-(4-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazol-4-ol
CID 170556870
5-(4-chlorophenyl)-3-phenyl-1H-pyrazol-4-ol
CID 12326419
Ferroptosis-IN-3
CID 169450350
2-[4-[(4-chlorophenyl)methyl]-1H-pyrazol-5-yl]phenol
CID 135425150
2-[4-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol
CID 135503180
6-chloro-2-fluoro-3-(2H-indazol-3-ylmethyl)phenol
CID 59299251
6-chloro-2-fluoro-3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol
CID 59299264
6-chloro-3-(4-fluorophenyl)-1H-indazol-5-ol
CID 69166333
4-[4-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]phenol
CID 136406255
4-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 136445097

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)-2-fluorophenol?
The IUPAC name of 6-chloro-3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)-2-fluorophenol (CID 175772647) is 6-chloro-3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)-2-fluorophenol.
What is the SMILES notation for 6-chloro-3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)-2-fluorophenol?
The canonical SMILES for 6-chloro-3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)-2-fluorophenol is CCc1c(-c2ccccc2)n[nH]c1-c1ccc(Cl)c(O)c1F.
What is the InChIKey of 6-chloro-3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)-2-fluorophenol?
The InChIKey is ZEDUTRUVGUBSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O/c1-2-11-15(10-6-4-3-5-7-10)20-21-16(11)12-8-9-13(18)17(22)14(12)19/h3-9,22H,2H2,1H3,(H,20,21).
What are the key properties of 6-chloro-3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)-2-fluorophenol?
6-chloro-3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)-2-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 6-chloro-3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)-2-fluorophenol is sourced from PubChem (CID 175772647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).