2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)acetamide

C18H24N6O2 — CID 42285748

IUPAC2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)NCc1ccccn1
InChIInChI=1S/C18H24N6O2/c1-14-11-16(18(26)23-9-7-22(2)8-10-23)21-24(14)13-17(25)20-12-15-5-3-4-6-19-15/h3-6,11H,7-10,12-13H2,1-2H3,(H,20,25)
InChIKeyMBMXDIILOULQPJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.29
Rot. Bonds5

About 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 42285748) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID42285748
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)NCc1ccccn1
InChIInChI=1S/C18H24N6O2/c1-14-11-16(18(26)23-9-7-22(2)8-10-23)21-24(14)13-17(25)20-12-15-5-3-4-6-19-15/h3-6,11H,7-10,12-13H2,1-2H3,(H,20,25)
InChIKeyMBMXDIILOULQPJ-UHFFFAOYSA-N
XLogP0.29
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 42285748) is 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)acetamide is Cc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)NCc1ccccn1.
What is the InChIKey of 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is MBMXDIILOULQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-14-11-16(18(26)23-9-7-22(2)8-10-23)21-24(14)13-17(25)20-12-15-5-3-4-6-19-15/h3-6,11H,7-10,12-13H2,1-2H3,(H,20,25).
What are the key properties of 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 356.43 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 42285748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).