1-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol

C17H31N3O — CID 79060083

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol
SMILESCCc1cc(CC(O)C(C)(CC)N2CCCCC2)n(C)n1
InChIInChI=1S/C17H31N3O/c1-5-14-12-15(19(4)18-14)13-16(21)17(3,6-2)20-10-8-7-9-11-20/h12,16,21H,5-11,13H2,1-4H3
InChIKeyWWOQEJFNTZKOOR-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.54
Rot. Bonds6

About 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol

1-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol (PubChem CID 79060083) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol
PubChem CID79060083
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol
SMILESCCc1cc(CC(O)C(C)(CC)N2CCCCC2)n(C)n1
InChIInChI=1S/C17H31N3O/c1-5-14-12-15(19(4)18-14)13-16(21)17(3,6-2)20-10-8-7-9-11-20/h12,16,21H,5-11,13H2,1-4H3
InChIKeyWWOQEJFNTZKOOR-UHFFFAOYSA-N
XLogP2.54
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol (CID 79060083) is 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol is CCc1cc(CC(O)C(C)(CC)N2CCCCC2)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol?
The InChIKey is WWOQEJFNTZKOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-14-12-15(19(4)18-14)13-16(21)17(3,6-2)20-10-8-7-9-11-20/h12,16,21H,5-11,13H2,1-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol?
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol has a molecular weight of 293.46 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol is sourced from PubChem (CID 79060083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).