1-(2,5-dimethylpyrazol-3-yl)-3-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]pyrrolidin-2-one

C18H28N6O — CID 126803055

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]pyrrolidin-2-one
SMILESCCc1c(NC2CCN(c3cc(C)nn3C)C2=O)cnn1CC(C)C
InChIInChI=1S/C18H28N6O/c1-6-16-15(10-19-24(16)11-12(2)3)20-14-7-8-23(18(14)25)17-9-13(4)21-22(17)5/h9-10,12,14,20H,6-8,11H2,1-5H3
InChIKeyOFGQAWDMNJHSBM-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.36
Rot. Bonds6

About 1-(2,5-dimethylpyrazol-3-yl)-3-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]pyrrolidin-2-one

1-(2,5-dimethylpyrazol-3-yl)-3-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]pyrrolidin-2-one (PubChem CID 126803055) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]pyrrolidin-2-one
PubChem CID126803055
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]pyrrolidin-2-one
SMILESCCc1c(NC2CCN(c3cc(C)nn3C)C2=O)cnn1CC(C)C
InChIInChI=1S/C18H28N6O/c1-6-16-15(10-19-24(16)11-12(2)3)20-14-7-8-23(18(14)25)17-9-13(4)21-22(17)5/h9-10,12,14,20H,6-8,11H2,1-5H3
InChIKeyOFGQAWDMNJHSBM-UHFFFAOYSA-N
XLogP2.36
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]pyrrolidin-2-one (CID 126803055) is 1-(2,5-dimethylpyrazol-3-yl)-3-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]pyrrolidin-2-one is CCc1c(NC2CCN(c3cc(C)nn3C)C2=O)cnn1CC(C)C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]pyrrolidin-2-one?
The InChIKey is OFGQAWDMNJHSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-6-16-15(10-19-24(16)11-12(2)3)20-14-7-8-23(18(14)25)17-9-13(4)21-22(17)5/h9-10,12,14,20H,6-8,11H2,1-5H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]pyrrolidin-2-one?
1-(2,5-dimethylpyrazol-3-yl)-3-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]pyrrolidin-2-one has a molecular weight of 344.46 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 126803055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).