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

C8H11F3N2O — CID 71055468

IUPAC2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol
SMILESCn1nc(C(F)(F)F)cc1C(C)(C)O
InChIInChI=1S/C8H11F3N2O/c1-7(2,14)6-4-5(8(9,10)11)12-13(6)3/h4,14H,1-3H3
InChIKeyNJTNYXCAMRORON-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.67
Rot. Bonds1

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

2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol (PubChem CID 71055468) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol
PubChem CID71055468
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol
SMILESCn1nc(C(F)(F)F)cc1C(C)(C)O
InChIInChI=1S/C8H11F3N2O/c1-7(2,14)6-4-5(8(9,10)11)12-13(6)3/h4,14H,1-3H3
InChIKeyNJTNYXCAMRORON-UHFFFAOYSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol?
The IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol (CID 71055468) is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol is Cn1nc(C(F)(F)F)cc1C(C)(C)O.
What is the InChIKey of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol?
The InChIKey is NJTNYXCAMRORON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-7(2,14)6-4-5(8(9,10)11)12-13(6)3/h4,14H,1-3H3.
What are the key properties of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol?
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol has a molecular weight of 208.18 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol is sourced from PubChem (CID 71055468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).