3-[(1-methylpyrazol-3-yl)amino]-1-propan-2-ylpyrrolidin-2-one

C11H18N4O — CID 71981220

IUPAC3-[(1-methylpyrazol-3-yl)amino]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCC(Nc2ccn(C)n2)C1=O
InChIInChI=1S/C11H18N4O/c1-8(2)15-7-4-9(11(15)16)12-10-5-6-14(3)13-10/h5-6,8-9H,4,7H2,1-3H3,(H,12,13)
InChIKeyVFSTYSSPJRZROJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.84
Rot. Bonds3

About 3-[(1-methylpyrazol-3-yl)amino]-1-propan-2-ylpyrrolidin-2-one

3-[(1-methylpyrazol-3-yl)amino]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 71981220) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-3-yl)amino]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(1-methylpyrazol-3-yl)amino]-1-propan-2-ylpyrrolidin-2-one
PubChem CID71981220
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-[(1-methylpyrazol-3-yl)amino]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCC(Nc2ccn(C)n2)C1=O
InChIInChI=1S/C11H18N4O/c1-8(2)15-7-4-9(11(15)16)12-10-5-6-14(3)13-10/h5-6,8-9H,4,7H2,1-3H3,(H,12,13)
InChIKeyVFSTYSSPJRZROJ-UHFFFAOYSA-N
XLogP0.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-3-yl)amino]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-[(1-methylpyrazol-3-yl)amino]-1-propan-2-ylpyrrolidin-2-one (CID 71981220) is 3-[(1-methylpyrazol-3-yl)amino]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-[(1-methylpyrazol-3-yl)amino]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-[(1-methylpyrazol-3-yl)amino]-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CCC(Nc2ccn(C)n2)C1=O.
What is the InChIKey of 3-[(1-methylpyrazol-3-yl)amino]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is VFSTYSSPJRZROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(2)15-7-4-9(11(15)16)12-10-5-6-14(3)13-10/h5-6,8-9H,4,7H2,1-3H3,(H,12,13).
What are the key properties of 3-[(1-methylpyrazol-3-yl)amino]-1-propan-2-ylpyrrolidin-2-one?
3-[(1-methylpyrazol-3-yl)amino]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-3-yl)amino]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 71981220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).