[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-bis(4-fluorophenyl)methanol

C22H15ClF2N2O — CID 171986904

IUPAC[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-bis(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)(c1ccc(F)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C22H15ClF2N2O/c23-17-7-1-14(2-8-17)20-13-21(27-26-20)22(28,15-3-9-18(24)10-4-15)16-5-11-19(25)12-6-16/h1-13,28H,(H,26,27)
InChIKeyDNOJONUMIJFQGT-UHFFFAOYSA-N
MW396.82 g/mol
LogP5.29
Rot. Bonds4

About [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-bis(4-fluorophenyl)methanol

[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-bis(4-fluorophenyl)methanol (PubChem CID 171986904) has the molecular formula C22H15ClF2N2O and a molecular weight of 396.82 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-bis(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-bis(4-fluorophenyl)methanol
PubChem CID171986904
Molecular FormulaC22H15ClF2N2O
Molecular Weight396.82 g/mol
Exact Mass396.08
IUPAC Name[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-bis(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)(c1ccc(F)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C22H15ClF2N2O/c23-17-7-1-14(2-8-17)20-13-21(27-26-20)22(28,15-3-9-18(24)10-4-15)16-5-11-19(25)12-6-16/h1-13,28H,(H,26,27)
InChIKeyDNOJONUMIJFQGT-UHFFFAOYSA-N
XLogP5.29
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.82
LogP ≤ 55.29
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
(Z)-2,4-diphenyl-1-(5-phenyl-1H-pyrazol-3-yl)but-3-en-2-ol
CID 176468670
[4-(4-chlorophenyl)-1H-pyrazol-5-yl](4-fluorophenyl)phenylmethanol
CID 56689253
3-amino-1-(4-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]propan-1-ol
CID 15603599
6-chloro-2-fluoro-3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol
CID 59299264
[3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol
CID 59694381
2[(3R,4R)-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)-1-piperidyl]-1-phenyl-ethanol
CID 71237843
2-[3-[4-(4-chlorophenyl)phenyl]-1H-pyrazol-5-yl]-4-fluorophenol
CID 147912624
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

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-bis(4-fluorophenyl)methanol?
The IUPAC name of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-bis(4-fluorophenyl)methanol (CID 171986904) is [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-bis(4-fluorophenyl)methanol.
What is the SMILES notation for [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-bis(4-fluorophenyl)methanol?
The canonical SMILES for [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-bis(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)(c1ccc(F)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-bis(4-fluorophenyl)methanol?
The InChIKey is DNOJONUMIJFQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF2N2O/c23-17-7-1-14(2-8-17)20-13-21(27-26-20)22(28,15-3-9-18(24)10-4-15)16-5-11-19(25)12-6-16/h1-13,28H,(H,26,27).
What are the key properties of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-bis(4-fluorophenyl)methanol?
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-bis(4-fluorophenyl)methanol has a molecular weight of 396.82 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-bis(4-fluorophenyl)methanol is sourced from PubChem (CID 171986904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).