1-[3-(difluoromethyl)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol

C15H18F2N2O — CID 115527691

IUPAC1-[3-(difluoromethyl)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
SMILESCCc1cc(CC(O)c2cccc(C(F)F)c2)n(C)n1
InChIInChI=1S/C15H18F2N2O/c1-3-12-8-13(19(2)18-12)9-14(20)10-5-4-6-11(7-10)15(16)17/h4-8,14-15,20H,3,9H2,1-2H3
InChIKeyIVSPDQZQVZGPIQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.20
Rot. Bonds5

About 1-[3-(difluoromethyl)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol

1-[3-(difluoromethyl)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol (PubChem CID 115527691) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-[3-(difluoromethyl)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
PubChem CID115527691
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-[3-(difluoromethyl)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
SMILESCCc1cc(CC(O)c2cccc(C(F)F)c2)n(C)n1
InChIInChI=1S/C15H18F2N2O/c1-3-12-8-13(19(2)18-12)9-14(20)10-5-4-6-11(7-10)15(16)17/h4-8,14-15,20H,3,9H2,1-2H3
InChIKeyIVSPDQZQVZGPIQ-UHFFFAOYSA-N
XLogP3.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-Difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol
CID 56781795
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-(4-methylphenyl)ethan-1-ol
CID 3511640
2-[1-Methyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol
CID 972477
2-[3-(3,5-Dimethyl-1-pyrazolyl)propylamino]-1-phenylethanol;oxalic acid
CID 2999795
2-[3-(3,5-Dimethylpyrazol-1-yl)azetidin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 56781756
{2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol
CID 24229659
(1-Methyl-5-phenyl-1H-pyrazol-3-yl)methanol
CID 14354447
1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenylpropan-2-ol
CID 3259972
3-[(1,5-Dimethylpyrazol-3-yl)methyl-methylamino]-1-phenylpropan-1-ol
CID 45250350
2-[3-(3,5-Dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethanol
CID 56781744
1-(1-methyl-3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol
CID 155540342
1-Methyl-3-phenyl-1H-pyrazole-5-methanol
CID 7537632

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The IUPAC name of 1-[3-(difluoromethyl)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol (CID 115527691) is 1-[3-(difluoromethyl)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-[3-(difluoromethyl)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-[3-(difluoromethyl)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol is CCc1cc(CC(O)c2cccc(C(F)F)c2)n(C)n1.
What is the InChIKey of 1-[3-(difluoromethyl)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The InChIKey is IVSPDQZQVZGPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c1-3-12-8-13(19(2)18-12)9-14(20)10-5-4-6-11(7-10)15(16)17/h4-8,14-15,20H,3,9H2,1-2H3.
What are the key properties of 1-[3-(difluoromethyl)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
1-[3-(difluoromethyl)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol has a molecular weight of 280.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol is sourced from PubChem (CID 115527691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).