4-amino-1-cyclopropyl-5-(1,3-dimethylpyrazol-4-yl)pyrrolidin-2-one

C12H18N4O — CID 83094417

IUPAC4-amino-1-cyclopropyl-5-(1,3-dimethylpyrazol-4-yl)pyrrolidin-2-one
SMILESCc1nn(C)cc1C1C(N)CC(=O)N1C1CC1
InChIInChI=1S/C12H18N4O/c1-7-9(6-15(2)14-7)12-10(13)5-11(17)16(12)8-3-4-8/h6,8,10,12H,3-5,13H2,1-2H3
InChIKeyAWAUSIFXOMGTHO-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.49
Rot. Bonds2

About 4-amino-1-cyclopropyl-5-(1,3-dimethylpyrazol-4-yl)pyrrolidin-2-one

4-amino-1-cyclopropyl-5-(1,3-dimethylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 83094417) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-5-(1,3-dimethylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-5-(1,3-dimethylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID83094417
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-amino-1-cyclopropyl-5-(1,3-dimethylpyrazol-4-yl)pyrrolidin-2-one
SMILESCc1nn(C)cc1C1C(N)CC(=O)N1C1CC1
InChIInChI=1S/C12H18N4O/c1-7-9(6-15(2)14-7)12-10(13)5-11(17)16(12)8-3-4-8/h6,8,10,12H,3-5,13H2,1-2H3
InChIKeyAWAUSIFXOMGTHO-UHFFFAOYSA-N
XLogP0.49
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-5-(1,3-dimethylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-cyclopropyl-5-(1,3-dimethylpyrazol-4-yl)pyrrolidin-2-one (CID 83094417) is 4-amino-1-cyclopropyl-5-(1,3-dimethylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-cyclopropyl-5-(1,3-dimethylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-cyclopropyl-5-(1,3-dimethylpyrazol-4-yl)pyrrolidin-2-one is Cc1nn(C)cc1C1C(N)CC(=O)N1C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-5-(1,3-dimethylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is AWAUSIFXOMGTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-7-9(6-15(2)14-7)12-10(13)5-11(17)16(12)8-3-4-8/h6,8,10,12H,3-5,13H2,1-2H3.
What are the key properties of 4-amino-1-cyclopropyl-5-(1,3-dimethylpyrazol-4-yl)pyrrolidin-2-one?
4-amino-1-cyclopropyl-5-(1,3-dimethylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-5-(1,3-dimethylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 83094417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).