5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpiperidin-2-one

C13H23N5O — CID 66011564

IUPAC5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpiperidin-2-one
SMILESCC(C)c1nn(C)c(NC2CCC(=O)N(C)C2)c1N
InChIInChI=1S/C13H23N5O/c1-8(2)12-11(14)13(18(4)16-12)15-9-5-6-10(19)17(3)7-9/h8-9,15H,5-7,14H2,1-4H3
InChIKeyGLWPKOMLVLNSBE-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.16
Rot. Bonds3

About 5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpiperidin-2-one

5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpiperidin-2-one (PubChem CID 66011564) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpiperidin-2-one
PubChem CID66011564
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpiperidin-2-one
SMILESCC(C)c1nn(C)c(NC2CCC(=O)N(C)C2)c1N
InChIInChI=1S/C13H23N5O/c1-8(2)12-11(14)13(18(4)16-12)15-9-5-6-10(19)17(3)7-9/h8-9,15H,5-7,14H2,1-4H3
InChIKeyGLWPKOMLVLNSBE-UHFFFAOYSA-N
XLogP1.16
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpiperidin-2-one (CID 66011564) is 5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpiperidin-2-one is CC(C)c1nn(C)c(NC2CCC(=O)N(C)C2)c1N.
What is the InChIKey of 5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is GLWPKOMLVLNSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-8(2)12-11(14)13(18(4)16-12)15-9-5-6-10(19)17(3)7-9/h8-9,15H,5-7,14H2,1-4H3.
What are the key properties of 5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpiperidin-2-one?
5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 265.36 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 66011564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).