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

C11H19N5O — CID 106252158

IUPAC3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1-methylpyrrolidin-2-one
SMILESCCn1nc(C)c(N)c1NC1CCN(C)C1=O
InChIInChI=1S/C11H19N5O/c1-4-16-10(9(12)7(2)14-16)13-8-5-6-15(3)11(8)17/h8,13H,4-6,12H2,1-3H3
InChIKeyXJJREAAHQFLHBP-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.44
Rot. Bonds3

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

3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1-methylpyrrolidin-2-one (PubChem CID 106252158) 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]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1-methylpyrrolidin-2-one
PubChem CID106252158
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1-methylpyrrolidin-2-one
SMILESCCn1nc(C)c(N)c1NC1CCN(C)C1=O
InChIInChI=1S/C11H19N5O/c1-4-16-10(9(12)7(2)14-16)13-8-5-6-15(3)11(8)17/h8,13H,4-6,12H2,1-3H3
InChIKeyXJJREAAHQFLHBP-UHFFFAOYSA-N
XLogP0.44
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
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
1-ethyl-3-methyl-5-N-(2-methylsulfanylcyclopentyl)pyrazole-4,5-diamine
CID 114121291
5-N-(1,1-dioxothiolan-3-yl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011811
1-ethyl-3-methyl-5-N-(3,3,5,5-tetramethylcyclohexyl)pyrazole-4,5-diamine
CID 103965336
3-methyl-5-N-(4-methylcyclohexyl)-1-propylpyrazole-4,5-diamine
CID 66027024
5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011257
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 106258583
1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66012005
5-N-(1-cyclohexylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011682
3-[(6-amino-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106258768
1-ethyl-3-methyl-5-N-(thian-4-ylmethyl)pyrazole-4,5-diamine
CID 113487270
5-N-(2-methoxycyclopentyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029779

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1-methylpyrrolidin-2-one (CID 106252158) is 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1-methylpyrrolidin-2-one is CCn1nc(C)c(N)c1NC1CCN(C)C1=O.
What is the InChIKey of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is XJJREAAHQFLHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-4-16-10(9(12)7(2)14-16)13-8-5-6-15(3)11(8)17/h8,13H,4-6,12H2,1-3H3.
What are the key properties of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1-methylpyrrolidin-2-one?
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 237.31 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 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]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106252158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).