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

C9H13F3N2O — CID 169217856

IUPAC2-methyl-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCc1cn(CC(C)(C)O)nc1C(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-6-4-14(5-8(2,3)15)13-7(6)9(10,11)12/h4,15H,5H2,1-3H3
InChIKeyGYDHUFKIHAEHIM-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.98
Rot. Bonds2

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

2-methyl-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 169217856) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-methyl-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID169217856
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name2-methyl-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCc1cn(CC(C)(C)O)nc1C(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-6-4-14(5-8(2,3)15)13-7(6)9(10,11)12/h4,15H,5H2,1-3H3
InChIKeyGYDHUFKIHAEHIM-UHFFFAOYSA-N
XLogP1.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylpyrazol-1-yl)-2-methylpropan-2-ol;ethane
CID 144607283
ethane;4-methyl-1-propyl-3-(trifluoromethyl)pyrazole
CID 143746140
1-(2-hydroxy-2-methylpropyl)-3,5-dimethylpyridazin-4-one
CID 167082386
ethane;2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile
CID 143431716
4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanamide
CID 166474069
1-(4-ethyl-3-methylpyrazol-1-yl)-2-methylpropan-2-ol
CID 144607417
ethyl 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate
CID 119053470
2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 119053475
1-[3-(difluoromethyl)-4-iodopyrazol-1-yl]-2-methylpropan-2-ol
CID 170247527
1-(3-chloro-4-methylsulfanylpyrazol-1-yl)-2-methylpropan-2-ol
CID 170144726
1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane
CID 178006220
3-ethyl-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 126670967

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 169217856) is 2-methyl-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is Cc1cn(CC(C)(C)O)nc1C(F)(F)F.
What is the InChIKey of 2-methyl-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is GYDHUFKIHAEHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-6-4-14(5-8(2,3)15)13-7(6)9(10,11)12/h4,15H,5H2,1-3H3.
What are the key properties of 2-methyl-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
2-methyl-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 222.21 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 169217856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).