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

C11H8ClF3N2O — CID 170168094

IUPAC[3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
SMILESOCc1c(-c2ccc(Cl)cc2)n[nH]c1C(F)(F)F
InChIInChI=1S/C11H8ClF3N2O/c12-7-3-1-6(2-4-7)9-8(5-18)10(17-16-9)11(13,14)15/h1-4,18H,5H2,(H,16,17)
InChIKeyLFYHYIIFWUEOMZ-UHFFFAOYSA-N
MW276.64 g/mol
LogP3.24
Rot. Bonds2

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

[3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol (PubChem CID 170168094) has the molecular formula C11H8ClF3N2O and a molecular weight of 276.64 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
PubChem CID170168094
Molecular FormulaC11H8ClF3N2O
Molecular Weight276.64 g/mol
Exact Mass276.03
IUPAC Name[3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
SMILESOCc1c(-c2ccc(Cl)cc2)n[nH]c1C(F)(F)F
InChIInChI=1S/C11H8ClF3N2O/c12-7-3-1-6(2-4-7)9-8(5-18)10(17-16-9)11(13,14)15/h1-4,18H,5H2,(H,16,17)
InChIKeyLFYHYIIFWUEOMZ-UHFFFAOYSA-N
XLogP3.24
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.64
LogP ≤ 53.24
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
4-Bromo-5-(4-chlorophenyl)-1H-pyrazole-3-propanol
CID 2805424
5-(4-chlorophenyl)-4-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 22906426
[3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol
CID 59694381
3-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol
CID 89488409
[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol
CID 141329911
[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol
CID 142636961
[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
CID 142636989
3-(4-chlorophenyl)-4-ethyl-5-(trifluoromethyl)-1H-pyrazole
CID 142636991
1-[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol
CID 175278176
2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethanol
CID 14568868
2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-1-ol
CID 14568871

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The IUPAC name of [3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol (CID 170168094) is [3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for [3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol is OCc1c(-c2ccc(Cl)cc2)n[nH]c1C(F)(F)F.
What is the InChIKey of [3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The InChIKey is LFYHYIIFWUEOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O/c12-7-3-1-6(2-4-7)9-8(5-18)10(17-16-9)11(13,14)15/h1-4,18H,5H2,(H,16,17).
What are the key properties of [3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
[3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol has a molecular weight of 276.64 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 170168094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).