3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol

C8H11F3N2O — CID 19621848

IUPAC3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESCc1cc(C(F)(F)F)nn1CCCO
InChIInChI=1S/C8H11F3N2O/c1-6-5-7(8(9,10)11)12-13(6)3-2-4-14/h5,14H,2-4H2,1H3
InChIKeyUHFCRRKGGODICF-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.59
Rot. Bonds3

About 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol

3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol (PubChem CID 19621848) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
PubChem CID19621848
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESCc1cc(C(F)(F)F)nn1CCCO
InChIInChI=1S/C8H11F3N2O/c1-6-5-7(8(9,10)11)12-13(6)3-2-4-14/h5,14H,2-4H2,1H3
InChIKeyUHFCRRKGGODICF-UHFFFAOYSA-N
XLogP1.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol (CID 19621848) is 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol is Cc1cc(C(F)(F)F)nn1CCCO.
What is the InChIKey of 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The InChIKey is UHFCRRKGGODICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-6-5-7(8(9,10)11)12-13(6)3-2-4-14/h5,14H,2-4H2,1H3.
What are the key properties of 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol has a molecular weight of 208.18 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 19621848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).