1,1,1-trifluoro-2-[5-(2-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-yl]propan-2-ol

C14H23F3N2O — CID 126758601

IUPAC1,1,1-trifluoro-2-[5-(2-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-yl]propan-2-ol
SMILESCCC(C)(C)c1c(C(C)(O)C(F)(F)F)cnn1C(C)C
InChIInChI=1S/C14H23F3N2O/c1-7-12(4,5)11-10(8-18-19(11)9(2)3)13(6,20)14(15,16)17/h8-9,20H,7H2,1-6H3
InChIKeyQBIRDSMEUIZNNC-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.92
Rot. Bonds4

About 1,1,1-trifluoro-2-[5-(2-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-yl]propan-2-ol

1,1,1-trifluoro-2-[5-(2-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-yl]propan-2-ol (PubChem CID 126758601) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[5-(2-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[5-(2-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-yl]propan-2-ol
PubChem CID126758601
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name1,1,1-trifluoro-2-[5-(2-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-yl]propan-2-ol
SMILESCCC(C)(C)c1c(C(C)(O)C(F)(F)F)cnn1C(C)C
InChIInChI=1S/C14H23F3N2O/c1-7-12(4,5)11-10(8-18-19(11)9(2)3)13(6,20)14(15,16)17/h8-9,20H,7H2,1-6H3
InChIKeyQBIRDSMEUIZNNC-UHFFFAOYSA-N
XLogP3.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[5-(2-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[5-(2-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-yl]propan-2-ol (CID 126758601) is 1,1,1-trifluoro-2-[5-(2-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[5-(2-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[5-(2-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-yl]propan-2-ol is CCC(C)(C)c1c(C(C)(O)C(F)(F)F)cnn1C(C)C.
What is the InChIKey of 1,1,1-trifluoro-2-[5-(2-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-yl]propan-2-ol?
The InChIKey is QBIRDSMEUIZNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-7-12(4,5)11-10(8-18-19(11)9(2)3)13(6,20)14(15,16)17/h8-9,20H,7H2,1-6H3.
What are the key properties of 1,1,1-trifluoro-2-[5-(2-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-yl]propan-2-ol?
1,1,1-trifluoro-2-[5-(2-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-yl]propan-2-ol has a molecular weight of 292.35 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[5-(2-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-yl]propan-2-ol is sourced from PubChem (CID 126758601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).