2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-ol

C8H11F3N2O — CID 13418316

IUPAC2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-ol
SMILESCC(C)(O)Cc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C8H11F3N2O/c1-7(2,14)4-5-3-6(13-12-5)8(9,10)11/h3,14H,4H2,1-2H3,(H,12,13)
InChIKeyIIQMKFDRKILCIA-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.74
Rot. Bonds2

About 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-ol

2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-ol (PubChem CID 13418316) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-ol
PubChem CID13418316
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-ol
SMILESCC(C)(O)Cc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C8H11F3N2O/c1-7(2,14)4-5-3-6(13-12-5)8(9,10)11/h3,14H,4H2,1-2H3,(H,12,13)
InChIKeyIIQMKFDRKILCIA-UHFFFAOYSA-N
XLogP1.74
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-ol (CID 13418316) is 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-ol is CC(C)(O)Cc1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-ol?
The InChIKey is IIQMKFDRKILCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-7(2,14)4-5-3-6(13-12-5)8(9,10)11/h3,14H,4H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-ol?
2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-ol has a molecular weight of 208.18 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-ol is sourced from PubChem (CID 13418316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).