3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropentan-2-ol

C10H16F3N3O — CID 63974655

IUPAC3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropentan-2-ol
SMILESCCC(N)C(O)(c1ccnn1CC)C(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-3-7(14)9(17,10(11,12)13)8-5-6-15-16(8)4-2/h5-7,17H,3-4,14H2,1-2H3
InChIKeyZTQLWKLYFSZBNM-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.39
Rot. Bonds4

About 3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropentan-2-ol

3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropentan-2-ol (PubChem CID 63974655) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropentan-2-ol.

Molecular Properties

Compound Name3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropentan-2-ol
PubChem CID63974655
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropentan-2-ol
SMILESCCC(N)C(O)(c1ccnn1CC)C(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-3-7(14)9(17,10(11,12)13)8-5-6-15-16(8)4-2/h5-7,17H,3-4,14H2,1-2H3
InChIKeyZTQLWKLYFSZBNM-UHFFFAOYSA-N
XLogP1.39
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-2-ol
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CID 63977186
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CID 64715983
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CID 81223759
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CID 114059360
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CID 103392371
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CID 112575208
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CID 178160278
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropentan-2-ol?
The IUPAC name of 3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropentan-2-ol (CID 63974655) is 3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropentan-2-ol.
What is the SMILES notation for 3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropentan-2-ol?
The canonical SMILES for 3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropentan-2-ol is CCC(N)C(O)(c1ccnn1CC)C(F)(F)F.
What is the InChIKey of 3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropentan-2-ol?
The InChIKey is ZTQLWKLYFSZBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-3-7(14)9(17,10(11,12)13)8-5-6-15-16(8)4-2/h5-7,17H,3-4,14H2,1-2H3.
What are the key properties of 3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropentan-2-ol?
3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropentan-2-ol has a molecular weight of 251.25 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropentan-2-ol is sourced from PubChem (CID 63974655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).