(3S)-1-(2,5-dimethylpyrazol-3-yl)-3-(3-methylbutylamino)pyrrolidin-2-one

C14H24N4O — CID 124682454

IUPAC(3S)-1-(2,5-dimethylpyrazol-3-yl)-3-(3-methylbutylamino)pyrrolidin-2-one
SMILESCc1cc(N2CC[C@H](NCCC(C)C)C2=O)n(C)n1
InChIInChI=1S/C14H24N4O/c1-10(2)5-7-15-12-6-8-18(14(12)19)13-9-11(3)16-17(13)4/h9-10,12,15H,5-8H2,1-4H3/t12-/m0/s1
InChIKeyLDDMCKZUOSFGEJ-LBPRGKRZSA-N
MW264.37 g/mol
LogP1.47
Rot. Bonds5

About (3S)-1-(2,5-dimethylpyrazol-3-yl)-3-(3-methylbutylamino)pyrrolidin-2-one

(3S)-1-(2,5-dimethylpyrazol-3-yl)-3-(3-methylbutylamino)pyrrolidin-2-one (PubChem CID 124682454) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (3S)-1-(2,5-dimethylpyrazol-3-yl)-3-(3-methylbutylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-(2,5-dimethylpyrazol-3-yl)-3-(3-methylbutylamino)pyrrolidin-2-one
PubChem CID124682454
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(3S)-1-(2,5-dimethylpyrazol-3-yl)-3-(3-methylbutylamino)pyrrolidin-2-one
SMILESCc1cc(N2CC[C@H](NCCC(C)C)C2=O)n(C)n1
InChIInChI=1S/C14H24N4O/c1-10(2)5-7-15-12-6-8-18(14(12)19)13-9-11(3)16-17(13)4/h9-10,12,15H,5-8H2,1-4H3/t12-/m0/s1
InChIKeyLDDMCKZUOSFGEJ-LBPRGKRZSA-N
XLogP1.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,5-dimethylpyrazol-3-yl)-3-(3-methylbutylamino)pyrrolidin-2-one?
The IUPAC name of (3S)-1-(2,5-dimethylpyrazol-3-yl)-3-(3-methylbutylamino)pyrrolidin-2-one (CID 124682454) is (3S)-1-(2,5-dimethylpyrazol-3-yl)-3-(3-methylbutylamino)pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-(2,5-dimethylpyrazol-3-yl)-3-(3-methylbutylamino)pyrrolidin-2-one?
The canonical SMILES for (3S)-1-(2,5-dimethylpyrazol-3-yl)-3-(3-methylbutylamino)pyrrolidin-2-one is Cc1cc(N2CC[C@H](NCCC(C)C)C2=O)n(C)n1.
What is the InChIKey of (3S)-1-(2,5-dimethylpyrazol-3-yl)-3-(3-methylbutylamino)pyrrolidin-2-one?
The InChIKey is LDDMCKZUOSFGEJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)5-7-15-12-6-8-18(14(12)19)13-9-11(3)16-17(13)4/h9-10,12,15H,5-8H2,1-4H3/t12-/m0/s1.
What are the key properties of (3S)-1-(2,5-dimethylpyrazol-3-yl)-3-(3-methylbutylamino)pyrrolidin-2-one?
(3S)-1-(2,5-dimethylpyrazol-3-yl)-3-(3-methylbutylamino)pyrrolidin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,5-dimethylpyrazol-3-yl)-3-(3-methylbutylamino)pyrrolidin-2-one is sourced from PubChem (CID 124682454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).