3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]piperidin-2-one

C11H19N5O — CID 66012065

IUPAC3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]piperidin-2-one
SMILESCCn1nc(C)c(N)c1NC1CCCNC1=O
InChIInChI=1S/C11H19N5O/c1-3-16-10(9(12)7(2)15-16)14-8-5-4-6-13-11(8)17/h8,14H,3-6,12H2,1-2H3,(H,13,17)
InChIKeyRUQRKAHKZFSSAS-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.48
Rot. Bonds3

About 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]piperidin-2-one

3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]piperidin-2-one (PubChem CID 66012065) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]piperidin-2-one
PubChem CID66012065
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]piperidin-2-one
SMILESCCn1nc(C)c(N)c1NC1CCCNC1=O
InChIInChI=1S/C11H19N5O/c1-3-16-10(9(12)7(2)15-16)14-8-5-4-6-13-11(8)17/h8,14H,3-6,12H2,1-2H3,(H,13,17)
InChIKeyRUQRKAHKZFSSAS-UHFFFAOYSA-N
XLogP0.48
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]piperidin-2-one (CID 66012065) is 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]piperidin-2-one is CCn1nc(C)c(N)c1NC1CCCNC1=O.
What is the InChIKey of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]piperidin-2-one?
The InChIKey is RUQRKAHKZFSSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-16-10(9(12)7(2)15-16)14-8-5-4-6-13-11(8)17/h8,14H,3-6,12H2,1-2H3,(H,13,17).
What are the key properties of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]piperidin-2-one?
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]piperidin-2-one has a molecular weight of 237.31 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]piperidin-2-one is sourced from PubChem (CID 66012065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).