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

C18H14ClF3N2O — CID 174840562

IUPAC1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2,4-difluorophenyl)ethanol
SMILESCc1[nH]nc(C(C)(O)c2ccc(F)cc2F)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C18H14ClF3N2O/c1-9-16(12-5-3-10(20)7-14(12)19)17(24-23-9)18(2,25)13-6-4-11(21)8-15(13)22/h3-8,25H,1-2H3,(H,23,24)
InChIKeySWBRMXUMCYZMEL-UHFFFAOYSA-N
MW366.77 g/mol
LogP4.71
Rot. Bonds3

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

1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2,4-difluorophenyl)ethanol (PubChem CID 174840562) has the molecular formula C18H14ClF3N2O and a molecular weight of 366.77 g/mol. Its IUPAC name is 1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2,4-difluorophenyl)ethanol
PubChem CID174840562
Molecular FormulaC18H14ClF3N2O
Molecular Weight366.77 g/mol
Exact Mass366.07
IUPAC Name1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2,4-difluorophenyl)ethanol
SMILESCc1[nH]nc(C(C)(O)c2ccc(F)cc2F)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C18H14ClF3N2O/c1-9-16(12-5-3-10(20)7-14(12)19)17(24-23-9)18(2,25)13-6-4-11(21)8-15(13)22/h3-8,25H,1-2H3,(H,23,24)
InChIKeySWBRMXUMCYZMEL-UHFFFAOYSA-N
XLogP4.71
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.77
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

alpha,alpha-Bis(4-chlorophenyl)-1H-pyrazole-3-methanol
CID 13672683
[4-(4-chlorophenyl)-1H-pyrazol-5-yl](4-fluorophenyl)phenylmethanol
CID 56689253
[3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol
CID 59694381
1-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol
CID 67388747
[2-chloro-6-(trifluoromethyl)phenyl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol
CID 122454551
2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-fluorophenol
CID 155106353
[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]methanol
CID 156339552
1-(4-chloro-2,6-difluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol
CID 174646284
1-(2-chloro-4,6-difluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol
CID 174657968
1-(2-bromo-4-fluorophenyl)-1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanol
CID 174657979
1-[3-(2,6-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol
CID 174693083
1-(2,4-difluorophenyl)-1-[3-(2,6-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethanol
CID 174693163

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2,4-difluorophenyl)ethanol?
The IUPAC name of 1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2,4-difluorophenyl)ethanol (CID 174840562) is 1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2,4-difluorophenyl)ethanol is Cc1[nH]nc(C(C)(O)c2ccc(F)cc2F)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2,4-difluorophenyl)ethanol?
The InChIKey is SWBRMXUMCYZMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O/c1-9-16(12-5-3-10(20)7-14(12)19)17(24-23-9)18(2,25)13-6-4-11(21)8-15(13)22/h3-8,25H,1-2H3,(H,23,24).
What are the key properties of 1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2,4-difluorophenyl)ethanol?
1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2,4-difluorophenyl)ethanol has a molecular weight of 366.77 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 174840562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).