1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-4-methylpiperidin-3-ol

C15H28N4O — CID 102961085

IUPAC1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-4-methylpiperidin-3-ol
SMILESCCCNCc1c(C)nn(C)c1N1CCC(C)C(O)C1
InChIInChI=1S/C15H28N4O/c1-5-7-16-9-13-12(3)17-18(4)15(13)19-8-6-11(2)14(20)10-19/h11,14,16,20H,5-10H2,1-4H3
InChIKeyLKRDZBXXAQHNOD-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.44
Rot. Bonds5

About 1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-4-methylpiperidin-3-ol

1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-4-methylpiperidin-3-ol (PubChem CID 102961085) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-4-methylpiperidin-3-ol
PubChem CID102961085
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-4-methylpiperidin-3-ol
SMILESCCCNCc1c(C)nn(C)c1N1CCC(C)C(O)C1
InChIInChI=1S/C15H28N4O/c1-5-7-16-9-13-12(3)17-18(4)15(13)19-8-6-11(2)14(20)10-19/h11,14,16,20H,5-10H2,1-4H3
InChIKeyLKRDZBXXAQHNOD-UHFFFAOYSA-N
XLogP1.44
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-4-methylpiperidin-3-ol (CID 102961085) is 1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-4-methylpiperidin-3-ol is CCCNCc1c(C)nn(C)c1N1CCC(C)C(O)C1.
What is the InChIKey of 1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-4-methylpiperidin-3-ol?
The InChIKey is LKRDZBXXAQHNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-7-16-9-13-12(3)17-18(4)15(13)19-8-6-11(2)14(20)10-19/h11,14,16,20H,5-10H2,1-4H3.
What are the key properties of 1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-4-methylpiperidin-3-ol?
1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-4-methylpiperidin-3-ol has a molecular weight of 280.42 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102961085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).