2-[4-(3-chloro-2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]ethanol

C17H14ClFN2O — CID 151802495

IUPAC2-[4-(3-chloro-2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]ethanol
SMILESOCCc1[nH]nc(-c2ccccc2)c1-c1cccc(Cl)c1F
InChIInChI=1S/C17H14ClFN2O/c18-13-8-4-7-12(16(13)19)15-14(9-10-22)20-21-17(15)11-5-2-1-3-6-11/h1-8,22H,9-10H2,(H,20,21)
InChIKeyRYXJPDBBCDWHQY-UHFFFAOYSA-N
MW316.76 g/mol
LogP4.07
Rot. Bonds4

About 2-[4-(3-chloro-2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]ethanol

2-[4-(3-chloro-2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]ethanol (PubChem CID 151802495) has the molecular formula C17H14ClFN2O and a molecular weight of 316.76 g/mol. Its IUPAC name is 2-[4-(3-chloro-2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-chloro-2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]ethanol
PubChem CID151802495
Molecular FormulaC17H14ClFN2O
Molecular Weight316.76 g/mol
Exact Mass316.08
IUPAC Name2-[4-(3-chloro-2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]ethanol
SMILESOCCc1[nH]nc(-c2ccccc2)c1-c1cccc(Cl)c1F
InChIInChI=1S/C17H14ClFN2O/c18-13-8-4-7-12(16(13)19)15-14(9-10-22)20-21-17(15)11-5-2-1-3-6-11/h1-8,22H,9-10H2,(H,20,21)
InChIKeyRYXJPDBBCDWHQY-UHFFFAOYSA-N
XLogP4.07
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-1-ol
CID 2805410
[3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol
CID 59694381
3-[3-(2-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]-3-(4-fluorophenyl)cyclobutan-1-ol
CID 59694412
2-(3-(2-Fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl)ethanol
CID 67384996
2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanol
CID 67438076
2-[3-(4-fluorophenyl)-4-iodo-1H-pyrazol-5-yl]ethanol
CID 67438332
2-[4-(4-chlorophenyl)-3-(2-fluorophenyl)-1H-pyrazol-5-yl]acetic acid
CID 69914925
3-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol
CID 89488409
(2R)-4-[4-(3,4-difluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol
CID 141269990
4-(2-fluoro-3-methylphenyl)-5-(2-methoxyethyl)-3-phenyl-1H-pyrazole
CID 141269992
4-(3-chloro-2-fluorophenyl)-3-phenyl-5-propyl-1H-pyrazole
CID 141270000
(2S)-4-[4-(3-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol
CID 141270010

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]ethanol?
The IUPAC name of 2-[4-(3-chloro-2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]ethanol (CID 151802495) is 2-[4-(3-chloro-2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]ethanol.
What is the SMILES notation for 2-[4-(3-chloro-2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]ethanol?
The canonical SMILES for 2-[4-(3-chloro-2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]ethanol is OCCc1[nH]nc(-c2ccccc2)c1-c1cccc(Cl)c1F.
What is the InChIKey of 2-[4-(3-chloro-2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]ethanol?
The InChIKey is RYXJPDBBCDWHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O/c18-13-8-4-7-12(16(13)19)15-14(9-10-22)20-21-17(15)11-5-2-1-3-6-11/h1-8,22H,9-10H2,(H,20,21).
What are the key properties of 2-[4-(3-chloro-2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]ethanol?
2-[4-(3-chloro-2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]ethanol has a molecular weight of 316.76 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]ethanol is sourced from PubChem (CID 151802495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).