1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

C14H15F3N2O2 — CID 109411689

IUPAC1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCc1ccc(OCC(O)Cn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H15F3N2O2/c1-10-2-4-12(5-3-10)21-9-11(20)8-19-7-6-13(18-19)14(15,16)17/h2-7,11,20H,8-9H2,1H3
InChIKeyYFHWBNJHNIFTIJ-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.65
Rot. Bonds5

About 1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 109411689) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID109411689
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCc1ccc(OCC(O)Cn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H15F3N2O2/c1-10-2-4-12(5-3-10)21-9-11(20)8-19-7-6-13(18-19)14(15,16)17/h2-7,11,20H,8-9H2,1H3
InChIKeyYFHWBNJHNIFTIJ-UHFFFAOYSA-N
XLogP2.65
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 106989367
1-(1-methoxypropan-2-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 106989366
(2S)-1-(3-nitrophenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 97243187
1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 112560244
(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol
CID 40549247
(2S)-1-(4-methylphenoxy)-3-[3-[(R)-methylsulfinyl]-1,2,4-triazol-1-yl]propan-2-ol
CID 97327259
1-[(4-chlorophenyl)methoxy]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 109411681
(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 97243184
1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 2809229
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
2-[(2S)-2-hydroxy-3-phenoxypropyl]-6-(trifluoromethyl)pyridazin-3-one
CID 97242146
N,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
CID 162611382

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 109411689) is 1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is Cc1ccc(OCC(O)Cn2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is YFHWBNJHNIFTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-10-2-4-12(5-3-10)21-9-11(20)8-19-7-6-13(18-19)14(15,16)17/h2-7,11,20H,8-9H2,1H3.
What are the key properties of 1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 300.28 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 109411689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).