1-cyclopropyl-3-[(1-methylpyrazol-3-yl)amino]pyrrolidin-2-one

C11H16N4O — CID 71924741

IUPAC1-cyclopropyl-3-[(1-methylpyrazol-3-yl)amino]pyrrolidin-2-one
SMILESCn1ccc(NC2CCN(C3CC3)C2=O)n1
InChIInChI=1S/C11H16N4O/c1-14-6-5-10(13-14)12-9-4-7-15(11(9)16)8-2-3-8/h5-6,8-9H,2-4,7H2,1H3,(H,12,13)
InChIKeyPUDNHTKDUBWPFV-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.60
Rot. Bonds3

About 1-cyclopropyl-3-[(1-methylpyrazol-3-yl)amino]pyrrolidin-2-one

1-cyclopropyl-3-[(1-methylpyrazol-3-yl)amino]pyrrolidin-2-one (PubChem CID 71924741) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1-methylpyrazol-3-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1-methylpyrazol-3-yl)amino]pyrrolidin-2-one
PubChem CID71924741
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-cyclopropyl-3-[(1-methylpyrazol-3-yl)amino]pyrrolidin-2-one
SMILESCn1ccc(NC2CCN(C3CC3)C2=O)n1
InChIInChI=1S/C11H16N4O/c1-14-6-5-10(13-14)12-9-4-7-15(11(9)16)8-2-3-8/h5-6,8-9H,2-4,7H2,1H3,(H,12,13)
InChIKeyPUDNHTKDUBWPFV-UHFFFAOYSA-N
XLogP0.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1-methylpyrazol-3-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-3-[(1-methylpyrazol-3-yl)amino]pyrrolidin-2-one (CID 71924741) is 1-cyclopropyl-3-[(1-methylpyrazol-3-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(1-methylpyrazol-3-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(1-methylpyrazol-3-yl)amino]pyrrolidin-2-one is Cn1ccc(NC2CCN(C3CC3)C2=O)n1.
What is the InChIKey of 1-cyclopropyl-3-[(1-methylpyrazol-3-yl)amino]pyrrolidin-2-one?
The InChIKey is PUDNHTKDUBWPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-14-6-5-10(13-14)12-9-4-7-15(11(9)16)8-2-3-8/h5-6,8-9H,2-4,7H2,1H3,(H,12,13).
What are the key properties of 1-cyclopropyl-3-[(1-methylpyrazol-3-yl)amino]pyrrolidin-2-one?
1-cyclopropyl-3-[(1-methylpyrazol-3-yl)amino]pyrrolidin-2-one has a molecular weight of 220.28 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1-methylpyrazol-3-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 71924741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).