ethane;1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

C10H17F3N2O — CID 145361066

IUPACethane;1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCC.Cc1cn(CC(C)O)nc1C(F)(F)F
InChIInChI=1S/C8H11F3N2O.C2H6/c1-5-3-13(4-6(2)14)12-7(5)8(9,10)11;1-2/h3,6,14H,4H2,1-2H3;1-2H3
InChIKeyAGGOIQOVHKFWBU-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.62
Rot. Bonds2

About ethane;1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

ethane;1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 145361066) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is ethane;1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Nameethane;1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID145361066
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Nameethane;1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCC.Cc1cn(CC(C)O)nc1C(F)(F)F
InChIInChI=1S/C8H11F3N2O.C2H6/c1-5-3-13(4-6(2)14)12-7(5)8(9,10)11;1-2/h3,6,14H,4H2,1-2H3;1-2H3
InChIKeyAGGOIQOVHKFWBU-UHFFFAOYSA-N
XLogP2.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of ethane;1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 145361066) is ethane;1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for ethane;1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for ethane;1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is CC.Cc1cn(CC(C)O)nc1C(F)(F)F.
What is the InChIKey of ethane;1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is AGGOIQOVHKFWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O.C2H6/c1-5-3-13(4-6(2)14)12-7(5)8(9,10)11;1-2/h3,6,14H,4H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
ethane;1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 238.25 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 145361066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).