5-(aminomethyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one

C10H16N4O — CID 82507618

IUPAC5-(aminomethyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one
SMILESCn1cc(CN2C(=O)CCC2CN)cn1
InChIInChI=1S/C10H16N4O/c1-13-6-8(5-12-13)7-14-9(4-11)2-3-10(14)15/h5-6,9H,2-4,7,11H2,1H3
InChIKeyUFUURKZBFYQKIF-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.13
Rot. Bonds3

About 5-(aminomethyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one

5-(aminomethyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one (PubChem CID 82507618) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-(aminomethyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one
PubChem CID82507618
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-(aminomethyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one
SMILESCn1cc(CN2C(=O)CCC2CN)cn1
InChIInChI=1S/C10H16N4O/c1-13-6-8(5-12-13)7-14-9(4-11)2-3-10(14)15/h5-6,9H,2-4,7,11H2,1H3
InChIKeyUFUURKZBFYQKIF-UHFFFAOYSA-N
XLogP-0.13
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-(aminomethyl)-1-ethylpyrrolidin-2-one
CID 15737590
(3S)-4-benzyl-3-ethyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-5-one
CID 95555143
(3aR,7aR)-4-(cyclopropylmethyl)-1-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97422950
6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64879083
[4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 122360339
[6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 62126736
5-(aminomethyl)-3-[(1-methylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one
CID 112594346
5-oxo-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 114076043
4-[(4-fluorophenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1,4-diazepan-5-one
CID 56875684
2-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62505178
6-cyclopropyl-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64875272
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione
CID 64884532

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-(aminomethyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one (CID 82507618) is 5-(aminomethyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one is Cn1cc(CN2C(=O)CCC2CN)cn1.
What is the InChIKey of 5-(aminomethyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is UFUURKZBFYQKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13-6-8(5-12-13)7-14-9(4-11)2-3-10(14)15/h5-6,9H,2-4,7,11H2,1H3.
What are the key properties of 5-(aminomethyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one?
5-(aminomethyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 208.26 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 82507618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).