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

C8H11F3N2O — CID 14969646

IUPAC2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-ol
SMILESCC(C)C(O)c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C8H11F3N2O/c1-4(2)7(14)5-3-6(13-12-5)8(9,10)11/h3-4,7,14H,1-2H3,(H,12,13)
InChIKeyLOGRSTJDUBBXOH-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.12
Rot. Bonds2

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

2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-ol (PubChem CID 14969646) 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-1-ol.

Molecular Properties

Compound Name2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-ol
PubChem CID14969646
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-ol
SMILESCC(C)C(O)c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C8H11F3N2O/c1-4(2)7(14)5-3-6(13-12-5)8(9,10)11/h3-4,7,14H,1-2H3,(H,12,13)
InChIKeyLOGRSTJDUBBXOH-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-(trifluoromethyl)-1H-pyrazol-5-yl)methanol
CID 10877483
5-Cyclopropyl-1H-pyrazole-3-methanol
CID 45382086
1-(5-methyl-1H-pyrazol-3-yl)ethan-1-ol
CID 89147284
1-(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diol
CID 155511544
1-(3-propan-2-yl-1H-pyrazol-5-yl)ethane-1,2-diol
CID 155533595
1-(5-cyclopentyl-1H-pyrazol-3-yl)ethane-1,2-diol
CID 155547678
2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-ol
CID 13418316
5-(1-ethoxyethyl)-3-(trifluoromethyl)-1H-pyrazole
CID 71551963
(1S)-1-[5-(difluoromethyl)-1H-pyrazol-3-yl]ethanol
CID 168328564
(3-(Difluoromethyl)-1H-pyrazol-5-yl)methanol
CID 99990010
[3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-pyrazol-5-yl]methanol
CID 9976125
[3-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-1H-pyrazol-5-yl]methanol
CID 10062334

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-ol (CID 14969646) is 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-ol is CC(C)C(O)c1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-ol?
The InChIKey is LOGRSTJDUBBXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-4(2)7(14)5-3-6(13-12-5)8(9,10)11/h3-4,7,14H,1-2H3,(H,12,13).
What are the key properties of 2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-ol?
2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-ol has a molecular weight of 208.18 g/mol, XLogP of 2.12, 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-1-ol is sourced from PubChem (CID 14969646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).