N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine

C18H32N4 — CID 16672818

IUPACN-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine
SMILESC=C(C)Cn1nc(C)c(CN(C)CCN2CCCCC2)c1C
InChIInChI=1S/C18H32N4/c1-15(2)13-22-17(4)18(16(3)19-22)14-20(5)11-12-21-9-7-6-8-10-21/h1,6-14H2,2-5H3
InChIKeyBZHVYCXFELTHSK-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.99
Rot. Bonds7

About N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine

N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine (PubChem CID 16672818) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine
PubChem CID16672818
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC NameN-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine
SMILESC=C(C)Cn1nc(C)c(CN(C)CCN2CCCCC2)c1C
InChIInChI=1S/C18H32N4/c1-15(2)13-22-17(4)18(16(3)19-22)14-20(5)11-12-21-9-7-6-8-10-21/h1,6-14H2,2-5H3
InChIKeyBZHVYCXFELTHSK-UHFFFAOYSA-N
XLogP2.99
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine?
The IUPAC name of N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine (CID 16672818) is N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine is C=C(C)Cn1nc(C)c(CN(C)CCN2CCCCC2)c1C.
What is the InChIKey of N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine?
The InChIKey is BZHVYCXFELTHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-15(2)13-22-17(4)18(16(3)19-22)14-20(5)11-12-21-9-7-6-8-10-21/h1,6-14H2,2-5H3.
What are the key properties of N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine?
N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine has a molecular weight of 304.48 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-N-methyl-2-piperidin-1-ylethanamine is sourced from PubChem (CID 16672818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).