1-ethenyl-N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-carboxamide

C15H24N4O — CID 56862476

IUPAC1-ethenyl-N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-carboxamide
SMILESC=Cn1cc(C(=O)N(C)CCN2CCCCC2C)cn1
InChIInChI=1S/C15H24N4O/c1-4-19-12-14(11-16-19)15(20)17(3)9-10-18-8-6-5-7-13(18)2/h4,11-13H,1,5-10H2,2-3H3
InChIKeyDBEMXDYGWKPWRV-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.93
Rot. Bonds5

About 1-ethenyl-N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-carboxamide

1-ethenyl-N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 56862476) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-ethenyl-N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethenyl-N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-carboxamide
PubChem CID56862476
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-ethenyl-N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-carboxamide
SMILESC=Cn1cc(C(=O)N(C)CCN2CCCCC2C)cn1
InChIInChI=1S/C15H24N4O/c1-4-19-12-14(11-16-19)15(20)17(3)9-10-18-8-6-5-7-13(18)2/h4,11-13H,1,5-10H2,2-3H3
InChIKeyDBEMXDYGWKPWRV-UHFFFAOYSA-N
XLogP1.93
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethenyl-N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-carboxamide (CID 56862476) is 1-ethenyl-N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethenyl-N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethenyl-N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-carboxamide is C=Cn1cc(C(=O)N(C)CCN2CCCCC2C)cn1.
What is the InChIKey of 1-ethenyl-N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is DBEMXDYGWKPWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-19-12-14(11-16-19)15(20)17(3)9-10-18-8-6-5-7-13(18)2/h4,11-13H,1,5-10H2,2-3H3.
What are the key properties of 1-ethenyl-N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-carboxamide?
1-ethenyl-N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-N-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56862476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).