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

C11H17F3N2O — CID 168907502

IUPAC(2R)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol
SMILESCC(C)n1nc(C(F)(F)F)cc1C[C@@H](C)CO
InChIInChI=1S/C11H17F3N2O/c1-7(2)16-9(4-8(3)6-17)5-10(15-16)11(12,13)14/h5,7-8,17H,4,6H2,1-3H3/t8-/m1/s1
InChIKeyXNYXSCMFXUEOQH-MRVPVSSYSA-N
MW250.26 g/mol
LogP2.65
Rot. Bonds4

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

(2R)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol (PubChem CID 168907502) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is (2R)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol
PubChem CID168907502
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name(2R)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol
SMILESCC(C)n1nc(C(F)(F)F)cc1C[C@@H](C)CO
InChIInChI=1S/C11H17F3N2O/c1-7(2)16-9(4-8(3)6-17)5-10(15-16)11(12,13)14/h5,7-8,17H,4,6H2,1-3H3/t8-/m1/s1
InChIKeyXNYXSCMFXUEOQH-MRVPVSSYSA-N
XLogP2.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol?
The IUPAC name of (2R)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol (CID 168907502) is (2R)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol?
The canonical SMILES for (2R)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol is CC(C)n1nc(C(F)(F)F)cc1C[C@@H](C)CO.
What is the InChIKey of (2R)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol?
The InChIKey is XNYXSCMFXUEOQH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-7(2)16-9(4-8(3)6-17)5-10(15-16)11(12,13)14/h5,7-8,17H,4,6H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol?
(2R)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol has a molecular weight of 250.26 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol is sourced from PubChem (CID 168907502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).