4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one

C13H22N4O2 — CID 122360290

IUPAC4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C(=O)CC(CN)C1c1cnn(C)c1C
InChIInChI=1S/C13H22N4O2/c1-9-11(8-15-16(9)2)13-10(7-14)6-12(18)17(13)4-5-19-3/h8,10,13H,4-7,14H2,1-3H3
InChIKeyZAXUZJHMOPQEPZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.22
Rot. Bonds5

About 4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one

4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 122360290) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID122360290
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C(=O)CC(CN)C1c1cnn(C)c1C
InChIInChI=1S/C13H22N4O2/c1-9-11(8-15-16(9)2)13-10(7-14)6-12(18)17(13)4-5-19-3/h8,10,13H,4-7,14H2,1-3H3
InChIKeyZAXUZJHMOPQEPZ-UHFFFAOYSA-N
XLogP0.22
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6623050
rac-(4R,5S)-4-(aminomethyl)-1-(2-methoxyethyl)-5-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 122164147
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclohexanecarboxamide
CID 19469143
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanecarboxamide
CID 42958321
4-(1,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 75356274
rac-(4R,5S)-4-amino-5-(1,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrrolidin-2-one
CID 79583778
rac-(3R,4S)-4-(1,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 124679564
rac-(4R,5S)-4-(aminomethyl)-1-tert-butyl-5-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]pyrrolidin-2-one
CID 137951659
(3R*,4S*)-4-cyclopropyl-1-[3-(1-methyl-1H-pyrazol-5-yl)propanoyl]pyrrolidin-3-amine
CID 72879690
2-[(3-Ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carboxamide
CID 86790342
(4S,5R)-4-(aminomethyl)-1-(2-methoxyethyl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]pyrrolidin-2-one
CID 91662775
rac-(2R,3R)-2-(1,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonitrile, trans
CID 98010057

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one (CID 122360290) is 4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1C(=O)CC(CN)C1c1cnn(C)c1C.
What is the InChIKey of 4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is ZAXUZJHMOPQEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9-11(8-15-16(9)2)13-10(7-14)6-12(18)17(13)4-5-19-3/h8,10,13H,4-7,14H2,1-3H3.
What are the key properties of 4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one?
4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 266.34 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 122360290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).