(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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Related Compounds

N-butyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361550
2-Piperidinone, 3-amino-1-(1,3-dimethyl-1H-pyrazol-5-yl)-
CID 56828034
N-(2,5-dimethylpyrazol-3-yl)-2-pyrazol-1-ylpropanamide
CID 45885693
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide
CID 46981201
N-cyclopentyl-5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carboxamide
CID 52234230
N-(2,5-Dimethyl-2H-pyrazol-3-yl)-2,2-dimethyl-propionamide
CID 2818790
US10112929, Example 271
CID 137529186
6-methyl-1H,2H,3H-pyrazolo(1,5-a)imidazol-2-one
CID 138006181
N-(3-methylbutyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928939
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928950
N-Butyl-4-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}butanamide
CID 20928958
N-{2-[Butyl(ethyl)amino]ethyl}-4-[2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-A]pyrimidin-4(5H)-YL]butanamide
CID 20928964

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).