2-(1,3-diethylpyrazol-5-yl)-1-[3-(difluoromethyl)phenyl]ethanol

C16H20F2N2O — CID 115527774

IUPAC2-(1,3-diethylpyrazol-5-yl)-1-[3-(difluoromethyl)phenyl]ethanol
SMILESCCc1cc(CC(O)c2cccc(C(F)F)c2)n(CC)n1
InChIInChI=1S/C16H20F2N2O/c1-3-13-9-14(20(4-2)19-13)10-15(21)11-6-5-7-12(8-11)16(17)18/h5-9,15-16,21H,3-4,10H2,1-2H3
InChIKeyYEPRBJSTVIKFLB-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.68
Rot. Bonds6

About 2-(1,3-diethylpyrazol-5-yl)-1-[3-(difluoromethyl)phenyl]ethanol

2-(1,3-diethylpyrazol-5-yl)-1-[3-(difluoromethyl)phenyl]ethanol (PubChem CID 115527774) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-(1,3-diethylpyrazol-5-yl)-1-[3-(difluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(1,3-diethylpyrazol-5-yl)-1-[3-(difluoromethyl)phenyl]ethanol
PubChem CID115527774
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC Name2-(1,3-diethylpyrazol-5-yl)-1-[3-(difluoromethyl)phenyl]ethanol
SMILESCCc1cc(CC(O)c2cccc(C(F)F)c2)n(CC)n1
InChIInChI=1S/C16H20F2N2O/c1-3-13-9-14(20(4-2)19-13)10-15(21)11-6-5-7-12(8-11)16(17)18/h5-9,15-16,21H,3-4,10H2,1-2H3
InChIKeyYEPRBJSTVIKFLB-UHFFFAOYSA-N
XLogP3.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.68
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-[5-(Hydroxymethyl)-3-phenylpyrazol-1-yl]-1-phenylethanol
CID 50908372
1-(3-Fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol
CID 51104368
2-[3-(3,5-Dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethanol
CID 56781744

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-[3-(difluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-[3-(difluoromethyl)phenyl]ethanol (CID 115527774) is 2-(1,3-diethylpyrazol-5-yl)-1-[3-(difluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(1,3-diethylpyrazol-5-yl)-1-[3-(difluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(1,3-diethylpyrazol-5-yl)-1-[3-(difluoromethyl)phenyl]ethanol is CCc1cc(CC(O)c2cccc(C(F)F)c2)n(CC)n1.
What is the InChIKey of 2-(1,3-diethylpyrazol-5-yl)-1-[3-(difluoromethyl)phenyl]ethanol?
The InChIKey is YEPRBJSTVIKFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c1-3-13-9-14(20(4-2)19-13)10-15(21)11-6-5-7-12(8-11)16(17)18/h5-9,15-16,21H,3-4,10H2,1-2H3.
What are the key properties of 2-(1,3-diethylpyrazol-5-yl)-1-[3-(difluoromethyl)phenyl]ethanol?
2-(1,3-diethylpyrazol-5-yl)-1-[3-(difluoromethyl)phenyl]ethanol has a molecular weight of 294.34 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethylpyrazol-5-yl)-1-[3-(difluoromethyl)phenyl]ethanol is sourced from PubChem (CID 115527774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).