3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one

C15H25N5O — CID 120773416

IUPAC3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
SMILESCc1cc(N2CCC(N3CCC(C)(CN)C3)C2=O)n(C)n1
InChIInChI=1S/C15H25N5O/c1-11-8-13(18(3)17-11)20-6-4-12(14(20)21)19-7-5-15(2,9-16)10-19/h8,12H,4-7,9-10,16H2,1-3H3
InChIKeyMDIQNFZMYHTJKO-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.50
Rot. Bonds3

About 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one

3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 120773416) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID120773416
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
SMILESCc1cc(N2CCC(N3CCC(C)(CN)C3)C2=O)n(C)n1
InChIInChI=1S/C15H25N5O/c1-11-8-13(18(3)17-11)20-6-4-12(14(20)21)19-7-5-15(2,9-16)10-19/h8,12H,4-7,9-10,16H2,1-3H3
InChIKeyMDIQNFZMYHTJKO-UHFFFAOYSA-N
XLogP0.50
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 86770898
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 120761777
1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidin-2-one
CID 86770894
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidin-2-one;hydrochloride
CID 120772686
(3R)-3-(4-cyclopropylsulfonylpiperazin-1-yl)-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one
CID 97346624
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-fluoro-5-methylphenyl)piperidin-2-one;2,2,2-trifluoroacetic acid
CID 166180915
1-(2,5-dimethylpyrazol-3-yl)-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]piperidin-2-one
CID 75475434
(3S)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperazin-1-yl]piperidin-2-one
CID 97346629
(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-2-one
CID 97102091
[3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine
CID 120772403
4-[4-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]sulfonylbutanenitrile
CID 97346626
3-[4-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperazin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)piperidin-2-one
CID 166423238

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one (CID 120773416) is 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one is Cc1cc(N2CCC(N3CCC(C)(CN)C3)C2=O)n(C)n1.
What is the InChIKey of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is MDIQNFZMYHTJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11-8-13(18(3)17-11)20-6-4-12(14(20)21)19-7-5-15(2,9-16)10-19/h8,12H,4-7,9-10,16H2,1-3H3.
What are the key properties of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 291.40 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 120773416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).