1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol

C11H17F3N2O — CID 112670336

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol
SMILESCCc1nn(C)cc1C(O)CCCC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-3-9-8(7-16(2)15-9)10(17)5-4-6-11(12,13)14/h7,10,17H,3-6H2,1-2H3
InChIKeyMAJBIFQKNVKVPT-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.75
Rot. Bonds5

About 1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol

1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol (PubChem CID 112670336) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol
PubChem CID112670336
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol
SMILESCCc1nn(C)cc1C(O)CCCC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-3-9-8(7-16(2)15-9)10(17)5-4-6-11(12,13)14/h7,10,17H,3-6H2,1-2H3
InChIKeyMAJBIFQKNVKVPT-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol (CID 112670336) is 1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol is CCc1nn(C)cc1C(O)CCCC(F)(F)F.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol?
The InChIKey is MAJBIFQKNVKVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-3-9-8(7-16(2)15-9)10(17)5-4-6-11(12,13)14/h7,10,17H,3-6H2,1-2H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol?
1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol has a molecular weight of 250.26 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-5,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 112670336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).