4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pyrrolidin-2-one

C11H17ClN4O — CID 106189404

IUPAC4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pyrrolidin-2-one
SMILESCCn1nc(C)c(Cl)c1CNC1CNC(=O)C1
InChIInChI=1S/C11H17ClN4O/c1-3-16-9(11(12)7(2)15-16)6-13-8-4-10(17)14-5-8/h8,13H,3-6H2,1-2H3,(H,14,17)
InChIKeyIZVXRBUULCRGAM-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.84
Rot. Bonds4

About 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pyrrolidin-2-one

4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pyrrolidin-2-one (PubChem CID 106189404) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pyrrolidin-2-one
PubChem CID106189404
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pyrrolidin-2-one
SMILESCCn1nc(C)c(Cl)c1CNC1CNC(=O)C1
InChIInChI=1S/C11H17ClN4O/c1-3-16-9(11(12)7(2)15-16)6-13-8-4-10(17)14-5-8/h8,13H,3-6H2,1-2H3,(H,14,17)
InChIKeyIZVXRBUULCRGAM-UHFFFAOYSA-N
XLogP0.84
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pyrrolidin-2-one (CID 106189404) is 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pyrrolidin-2-one is CCn1nc(C)c(Cl)c1CNC1CNC(=O)C1.
What is the InChIKey of 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pyrrolidin-2-one?
The InChIKey is IZVXRBUULCRGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-3-16-9(11(12)7(2)15-16)6-13-8-4-10(17)14-5-8/h8,13H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pyrrolidin-2-one?
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pyrrolidin-2-one has a molecular weight of 256.74 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 106189404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).