3-(propan-2-ylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one

C14H24N4O — CID 79237666

IUPAC3-(propan-2-ylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1CN1CCC(NC(C)C)C1=O
InChIInChI=1S/C14H24N4O/c1-9(2)15-13-6-7-18(14(13)19)8-12-10(3)16-17(5)11(12)4/h9,13,15H,6-8H2,1-5H3
InChIKeyRBYGIPILGKJNSB-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.14
Rot. Bonds4

About 3-(propan-2-ylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one

3-(propan-2-ylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one (PubChem CID 79237666) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(propan-2-ylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
PubChem CID79237666
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-(propan-2-ylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1CN1CCC(NC(C)C)C1=O
InChIInChI=1S/C14H24N4O/c1-9(2)15-13-6-7-18(14(13)19)8-12-10(3)16-17(5)11(12)4/h9,13,15H,6-8H2,1-5H3
InChIKeyRBYGIPILGKJNSB-UHFFFAOYSA-N
XLogP1.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-(propan-2-ylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one (CID 79237666) is 3-(propan-2-ylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(propan-2-ylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-(propan-2-ylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one is Cc1nn(C)c(C)c1CN1CCC(NC(C)C)C1=O.
What is the InChIKey of 3-(propan-2-ylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is RBYGIPILGKJNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-9(2)15-13-6-7-18(14(13)19)8-12-10(3)16-17(5)11(12)4/h9,13,15H,6-8H2,1-5H3.
What are the key properties of 3-(propan-2-ylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one?
3-(propan-2-ylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 79237666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).