5-(3,5-diethylpyrazol-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol

C17H33N3O — CID 106810128

IUPAC5-(3,5-diethylpyrazol-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCc1cc(CC)n(CCCC(CC)(CO)NC(C)C)n1
InChIInChI=1S/C17H33N3O/c1-6-15-12-16(7-2)20(19-15)11-9-10-17(8-3,13-21)18-14(4)5/h12,14,18,21H,6-11,13H2,1-5H3
InChIKeyYIHUGLMVEJMNNN-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.93
Rot. Bonds10

About 5-(3,5-diethylpyrazol-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol

5-(3,5-diethylpyrazol-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 106810128) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 5-(3,5-diethylpyrazol-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(3,5-diethylpyrazol-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID106810128
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name5-(3,5-diethylpyrazol-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCc1cc(CC)n(CCCC(CC)(CO)NC(C)C)n1
InChIInChI=1S/C17H33N3O/c1-6-15-12-16(7-2)20(19-15)11-9-10-17(8-3,13-21)18-14(4)5/h12,14,18,21H,6-11,13H2,1-5H3
InChIKeyYIHUGLMVEJMNNN-UHFFFAOYSA-N
XLogP2.93
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-diethylpyrazol-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 5-(3,5-diethylpyrazol-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol (CID 106810128) is 5-(3,5-diethylpyrazol-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-(3,5-diethylpyrazol-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-(3,5-diethylpyrazol-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol is CCc1cc(CC)n(CCCC(CC)(CO)NC(C)C)n1.
What is the InChIKey of 5-(3,5-diethylpyrazol-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is YIHUGLMVEJMNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-6-15-12-16(7-2)20(19-15)11-9-10-17(8-3,13-21)18-14(4)5/h12,14,18,21H,6-11,13H2,1-5H3.
What are the key properties of 5-(3,5-diethylpyrazol-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
5-(3,5-diethylpyrazol-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 295.47 g/mol, XLogP of 2.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-diethylpyrazol-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 106810128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).