(2S)-1,1,1-trifluoro-3-(4-pentan-2-ylpyrazol-1-yl)propan-2-ol

C11H17F3N2O — CID 134364541

IUPAC(2S)-1,1,1-trifluoro-3-(4-pentan-2-ylpyrazol-1-yl)propan-2-ol
SMILESCCCC(C)c1cnn(C[C@H](O)C(F)(F)F)c1
InChIInChI=1S/C11H17F3N2O/c1-3-4-8(2)9-5-15-16(6-9)7-10(17)11(12,13)14/h5-6,8,10,17H,3-4,7H2,1-2H3/t8?,10-/m0/s1
InChIKeyQMFDSVFVEFNANP-HTLJXXAVSA-N
MW250.26 g/mol
LogP2.71
Rot. Bonds5

About (2S)-1,1,1-trifluoro-3-(4-pentan-2-ylpyrazol-1-yl)propan-2-ol

(2S)-1,1,1-trifluoro-3-(4-pentan-2-ylpyrazol-1-yl)propan-2-ol (PubChem CID 134364541) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-(4-pentan-2-ylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-(4-pentan-2-ylpyrazol-1-yl)propan-2-ol
PubChem CID134364541
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name(2S)-1,1,1-trifluoro-3-(4-pentan-2-ylpyrazol-1-yl)propan-2-ol
SMILESCCCC(C)c1cnn(C[C@H](O)C(F)(F)F)c1
InChIInChI=1S/C11H17F3N2O/c1-3-4-8(2)9-5-15-16(6-9)7-10(17)11(12,13)14/h5-6,8,10,17H,3-4,7H2,1-2H3/t8?,10-/m0/s1
InChIKeyQMFDSVFVEFNANP-HTLJXXAVSA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-(4-pentan-2-ylpyrazol-1-yl)propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-(4-pentan-2-ylpyrazol-1-yl)propan-2-ol (CID 134364541) is (2S)-1,1,1-trifluoro-3-(4-pentan-2-ylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-(4-pentan-2-ylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-(4-pentan-2-ylpyrazol-1-yl)propan-2-ol is CCCC(C)c1cnn(C[C@H](O)C(F)(F)F)c1.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-(4-pentan-2-ylpyrazol-1-yl)propan-2-ol?
The InChIKey is QMFDSVFVEFNANP-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-3-4-8(2)9-5-15-16(6-9)7-10(17)11(12,13)14/h5-6,8,10,17H,3-4,7H2,1-2H3/t8?,10-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-(4-pentan-2-ylpyrazol-1-yl)propan-2-ol?
(2S)-1,1,1-trifluoro-3-(4-pentan-2-ylpyrazol-1-yl)propan-2-ol has a molecular weight of 250.26 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-(4-pentan-2-ylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 134364541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).