4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one

C14H16N4O — CID 168661209

IUPAC4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C14H16N4O/c15-9-11-7-14(19)17(10-11)12-3-1-4-13(8-12)18-6-2-5-16-18/h1-6,8,11H,7,9-10,15H2
InChIKeySAXSSOHUZYKBHH-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.18
Rot. Bonds3

About 4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one

4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one (PubChem CID 168661209) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one
PubChem CID168661209
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C14H16N4O/c15-9-11-7-14(19)17(10-11)12-3-1-4-13(8-12)18-6-2-5-16-18/h1-6,8,11H,7,9-10,15H2
InChIKeySAXSSOHUZYKBHH-UHFFFAOYSA-N
XLogP1.18
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-1-(4-pyrazol-1-ylphenyl)pyrrolidin-2-one
CID 168505566
4-(aminomethyl)-1-(3-ethynylphenyl)pyrrolidin-2-one
CID 168659047
4-(aminomethyl)-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168661197
4-(aminomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one
CID 168660316
4-(aminomethyl)-1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168660066
4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one
CID 168661228
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one
CID 168660659
methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83725126
4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
CID 83543998
4-(aminomethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 168660047
4-(aminomethyl)-1-(1-methylindazol-5-yl)pyrrolidin-2-one
CID 168660104
4-(aminomethyl)-1-(1-methylindazol-6-yl)pyrrolidin-2-one
CID 168660102

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one (CID 168661209) is 4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one is NCC1CC(=O)N(c2cccc(-n3cccn3)c2)C1.
What is the InChIKey of 4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one?
The InChIKey is SAXSSOHUZYKBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-9-11-7-14(19)17(10-11)12-3-1-4-13(8-12)18-6-2-5-16-18/h1-6,8,11H,7,9-10,15H2.
What are the key properties of 4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one?
4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one has a molecular weight of 256.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168661209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).