1-(2,4-difluorophenyl)-1-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethanol

C18H14F4N2O — CID 175280172

IUPAC1-(2,4-difluorophenyl)-1-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethanol
SMILESCc1[nH]nc(-c2ccc(F)cc2F)c1C(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C18H14F4N2O/c1-9-16(18(2,25)13-6-4-11(20)8-15(13)22)17(24-23-9)12-5-3-10(19)7-14(12)21/h3-8,25H,1-2H3,(H,23,24)
InChIKeyMVFDEXALDKHSEC-UHFFFAOYSA-N
MW350.32 g/mol
LogP4.20
Rot. Bonds3

About 1-(2,4-difluorophenyl)-1-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethanol

1-(2,4-difluorophenyl)-1-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethanol (PubChem CID 175280172) has the molecular formula C18H14F4N2O and a molecular weight of 350.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-1-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-1-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethanol
PubChem CID175280172
Molecular FormulaC18H14F4N2O
Molecular Weight350.32 g/mol
Exact Mass350.10
IUPAC Name1-(2,4-difluorophenyl)-1-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethanol
SMILESCc1[nH]nc(-c2ccc(F)cc2F)c1C(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C18H14F4N2O/c1-9-16(18(2,25)13-6-4-11(20)8-15(13)22)17(24-23-9)12-5-3-10(19)7-14(12)21/h3-8,25H,1-2H3,(H,23,24)
InChIKeyMVFDEXALDKHSEC-UHFFFAOYSA-N
XLogP4.20
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(2-Fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 136226476
2-(5-(4-fluorophenyl)-1H-pyrazol-3-yl)phenol
CID 759784
2-[5-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-5-methyl-phenol
CID 781217
2-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 644655
2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 775981
2-(5-(3-fluorophenyl)-1H-pyrazol-3-yl)-5-methylphenol
CID 775998
2-[5-(3-Fluoro-phenyl)-1H-pyrazol-3-yl]-4-methyl-phenol
CID 776006
2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-4-methylphenol
CID 936854
alpha,alpha-Diphenyl-1H-pyrazole-3-methanol
CID 4366668
4-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]phenol
CID 136086763
4-fluoro-2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 937339
(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol
CID 54847426

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-1-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-1-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethanol (CID 175280172) is 1-(2,4-difluorophenyl)-1-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-1-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-1-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethanol is Cc1[nH]nc(-c2ccc(F)cc2F)c1C(C)(O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-1-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethanol?
The InChIKey is MVFDEXALDKHSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O/c1-9-16(18(2,25)13-6-4-11(20)8-15(13)22)17(24-23-9)12-5-3-10(19)7-14(12)21/h3-8,25H,1-2H3,(H,23,24).
What are the key properties of 1-(2,4-difluorophenyl)-1-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethanol?
1-(2,4-difluorophenyl)-1-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethanol has a molecular weight of 350.32 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-1-[3-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethanol is sourced from PubChem (CID 175280172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).