1-(2,6-difluoro-3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol

C16H20F2N2O — CID 105121706

IUPAC1-(2,6-difluoro-3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
SMILESCc1ccc(F)c(C(O)CCc2c(C)nn(C)c2C)c1F
InChIInChI=1S/C16H20F2N2O/c1-9-5-7-13(17)15(16(9)18)14(21)8-6-12-10(2)19-20(4)11(12)3/h5,7,14,21H,6,8H2,1-4H3
InChIKeyYCCLTOIKCMZWNE-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.29
Rot. Bonds4

About 1-(2,6-difluoro-3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol

1-(2,6-difluoro-3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol (PubChem CID 105121706) has the molecular formula C16H20F2N2O and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
PubChem CID105121706
Molecular FormulaC16H20F2N2O
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
SMILESCc1ccc(F)c(C(O)CCc2c(C)nn(C)c2C)c1F
InChIInChI=1S/C16H20F2N2O/c1-9-5-7-13(17)15(16(9)18)14(21)8-6-12-10(2)19-20(4)11(12)3/h5,7,14,21H,6,8H2,1-4H3
InChIKeyYCCLTOIKCMZWNE-UHFFFAOYSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.29
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-[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
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-(4-Fluorophenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 84594492
(1S)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 138000518
[1-Methyl-4-(trifluoromethyl)pyrazol-5-yl]-phenylmethanol
CID 102385474

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol (CID 105121706) is 1-(2,6-difluoro-3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol is Cc1ccc(F)c(C(O)CCc2c(C)nn(C)c2C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The InChIKey is YCCLTOIKCMZWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c1-9-5-7-13(17)15(16(9)18)14(21)8-6-12-10(2)19-20(4)11(12)3/h5,7,14,21H,6,8H2,1-4H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
1-(2,6-difluoro-3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol has a molecular weight of 294.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 105121706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).