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

C11H19N5O — CID 66015628

IUPAC3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]piperidin-2-one
SMILESCCc1nn(C)c(NC2CCCNC2=O)c1N
InChIInChI=1S/C11H19N5O/c1-3-7-9(12)10(16(2)15-7)14-8-5-4-6-13-11(8)17/h8,14H,3-6,12H2,1-2H3,(H,13,17)
InChIKeyUZPRDMCTYNHYPB-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.26
Rot. Bonds3

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

3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]piperidin-2-one (PubChem CID 66015628) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]piperidin-2-one
PubChem CID66015628
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]piperidin-2-one
SMILESCCc1nn(C)c(NC2CCCNC2=O)c1N
InChIInChI=1S/C11H19N5O/c1-3-7-9(12)10(16(2)15-7)14-8-5-4-6-13-11(8)17/h8,14H,3-6,12H2,1-2H3,(H,13,17)
InChIKeyUZPRDMCTYNHYPB-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]piperidin-2-one
CID 66012065
5-N-(cyclohexylmethyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66015985
3-ethyl-1-methyl-5-N-(2-methylsulfanylcyclohexyl)pyrazole-4,5-diamine
CID 114122376
3-ethyl-1-methyl-5-N-(1-methylpiperidin-3-yl)pyrazole-4,5-diamine
CID 66014594
5-N-(2,3-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66016356
5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017100
6-amino-1-methyl-5-[(2-oxopiperidin-3-yl)amino]pyrimidine-2,4-dione
CID 62059575
3-ethyl-1-methyl-4-nitro-N-(piperidin-3-ylmethyl)pyrazol-5-amine
CID 66016613
4-bromo-2-butyl-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114436813
3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-2-one
CID 113229761
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-1-cyclopropylethanol
CID 66014043
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]azepan-2-one
CID 121476454

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]piperidin-2-one (CID 66015628) is 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]piperidin-2-one is CCc1nn(C)c(NC2CCCNC2=O)c1N.
What is the InChIKey of 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]piperidin-2-one?
The InChIKey is UZPRDMCTYNHYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-7-9(12)10(16(2)15-7)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-3-ethyl-1-methylpyrazol-5-yl)amino]piperidin-2-one?
3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]piperidin-2-one has a molecular weight of 237.31 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]piperidin-2-one is sourced from PubChem (CID 66015628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).