1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(3-methoxypiperidin-1-yl)propan-2-ol

C14H26N4O2 — CID 102956428

IUPAC1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(3-methoxypiperidin-1-yl)propan-2-ol
SMILESCOC1CCCN(CC(O)Cn2nc(C)c(N)c2C)C1
InChIInChI=1S/C14H26N4O2/c1-10-14(15)11(2)18(16-10)8-12(19)7-17-6-4-5-13(9-17)20-3/h12-13,19H,4-9,15H2,1-3H3
InChIKeyVPAVKGXJKQWWNQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.55
Rot. Bonds5

About 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(3-methoxypiperidin-1-yl)propan-2-ol

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(3-methoxypiperidin-1-yl)propan-2-ol (PubChem CID 102956428) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(3-methoxypiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(3-methoxypiperidin-1-yl)propan-2-ol
PubChem CID102956428
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(3-methoxypiperidin-1-yl)propan-2-ol
SMILESCOC1CCCN(CC(O)Cn2nc(C)c(N)c2C)C1
InChIInChI=1S/C14H26N4O2/c1-10-14(15)11(2)18(16-10)8-12(19)7-17-6-4-5-13(9-17)20-3/h12-13,19H,4-9,15H2,1-3H3
InChIKeyVPAVKGXJKQWWNQ-UHFFFAOYSA-N
XLogP0.55
TPSA76.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(3-methoxypiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(3-methoxypiperidin-1-yl)propan-2-ol (CID 102956428) is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(3-methoxypiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(3-methoxypiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(3-methoxypiperidin-1-yl)propan-2-ol is COC1CCCN(CC(O)Cn2nc(C)c(N)c2C)C1.
What is the InChIKey of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(3-methoxypiperidin-1-yl)propan-2-ol?
The InChIKey is VPAVKGXJKQWWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-10-14(15)11(2)18(16-10)8-12(19)7-17-6-4-5-13(9-17)20-3/h12-13,19H,4-9,15H2,1-3H3.
What are the key properties of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(3-methoxypiperidin-1-yl)propan-2-ol?
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(3-methoxypiperidin-1-yl)propan-2-ol has a molecular weight of 282.39 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(3-methoxypiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 102956428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).