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

C9H13F3N2O — CID 70967738

IUPAC2-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol
SMILESCCN1C(=CC(=N1)C(F)(F)F)C(C)(C)O
InChIInChI=1S/C9H13F3N2O/c1-4-14-7(8(2,3)15)5-6(13-14)9(10,11)12/h5,15H,4H2,1-3H3
InChIKeyMUGNKXRDGXRHOW-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.20
Rot. Bonds2

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

2-[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol (PubChem CID 70967738) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol
PubChem CID70967738
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name2-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol
SMILESCCN1C(=CC(=N1)C(F)(F)F)C(C)(C)O
InChIInChI=1S/C9H13F3N2O/c1-4-14-7(8(2,3)15)5-6(13-14)9(10,11)12/h5,15H,4H2,1-3H3
InChIKeyMUGNKXRDGXRHOW-UHFFFAOYSA-N
XLogP1.20
TPSA38.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity230

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)methanol
CID 25247625
1-(1,5-dimethyl-1H-pyrazol-3-yl)-2-methylpropan-1-ol
CID 121553424
1-(1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)ethanol
CID 75175983
2-(1,5-dimethyl-1H-pyrazol-3-yl)propan-2-ol
CID 53355523
(1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methanol
CID 25247664
1-Ethyl-5-(trifluoromethyl)-1H-pyrazole-3-methanol
CID 50896820
(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methanol
CID 58456726
1-[3-(1,1-Difluoroethyl)-1-methylpyrazol-5-yl]ethenol
CID 68062795
1-[2-Ethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol
CID 70851924
2-[1-Methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]propan-2-ol
CID 71055468
2-[4-Bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-ol
CID 71055469
1-[2-Methyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol
CID 83387933

Frequently Asked Questions

What is the IUPAC name of 2-[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol?
The IUPAC name of 2-[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol (CID 70967738) is 2-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol is CCN1C(=CC(=N1)C(F)(F)F)C(C)(C)O.
What is the InChIKey of 2-[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol?
The InChIKey is MUGNKXRDGXRHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-4-14-7(8(2,3)15)5-6(13-14)9(10,11)12/h5,15H,4H2,1-3H3.
What are the key properties of 2-[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol?
2-[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol has a molecular weight of 222.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol is sourced from PubChem (CID 70967738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).