4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one

C11H18N4O — CID 106189037

IUPAC4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one
SMILESCC(C)n1ccc(CNC2CNC(=O)C2)n1
InChIInChI=1S/C11H18N4O/c1-8(2)15-4-3-9(14-15)6-12-10-5-11(16)13-7-10/h3-4,8,10,12H,5-7H2,1-2H3,(H,13,16)
InChIKeyCSNMDLSFVJQJDU-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.44
Rot. Bonds4

About 4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one

4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one (PubChem CID 106189037) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one
PubChem CID106189037
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one
SMILESCC(C)n1ccc(CNC2CNC(=O)C2)n1
InChIInChI=1S/C11H18N4O/c1-8(2)15-4-3-9(14-15)6-12-10-5-11(16)13-7-10/h3-4,8,10,12H,5-7H2,1-2H3,(H,13,16)
InChIKeyCSNMDLSFVJQJDU-UHFFFAOYSA-N
XLogP0.44
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one
CID 106189038
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclobutanamine
CID 64771100
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine
CID 64687559
4-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64771439
4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one
CID 106182416
1,1-dioxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]thian-3-amine
CID 64772175
5-[(1-cyclopentylpyrazol-3-yl)methylamino]piperidin-2-one
CID 64798975
(4R)-4-(2-methylpropylamino)pyrrolidin-2-one
CID 139457725
4-(quinolin-2-ylmethylamino)pyrrolidin-2-one
CID 114155310
4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pyrrolidin-2-one
CID 106189229
4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]pyrrolidin-2-one
CID 106189405
4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one
CID 106183258

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one (CID 106189037) is 4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one is CC(C)n1ccc(CNC2CNC(=O)C2)n1.
What is the InChIKey of 4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one?
The InChIKey is CSNMDLSFVJQJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(2)15-4-3-9(14-15)6-12-10-5-11(16)13-7-10/h3-4,8,10,12H,5-7H2,1-2H3,(H,13,16).
What are the key properties of 4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one?
4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 106189037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).