4-(aminomethyl)-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidin-2-one

C15H18N4O — CID 168661197

IUPAC4-(aminomethyl)-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ccc(Cn3cccn3)cc2)C1
InChIInChI=1S/C15H18N4O/c16-9-13-8-15(20)19(11-13)14-4-2-12(3-5-14)10-18-7-1-6-17-18/h1-7,13H,8-11,16H2
InChIKeyFVKIPDWTIOOBRC-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.24
Rot. Bonds4

About 4-(aminomethyl)-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidin-2-one

4-(aminomethyl)-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidin-2-one (PubChem CID 168661197) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidin-2-one
PubChem CID168661197
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-(aminomethyl)-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ccc(Cn3cccn3)cc2)C1
InChIInChI=1S/C15H18N4O/c16-9-13-8-15(20)19(11-13)14-4-2-12(3-5-14)10-18-7-1-6-17-18/h1-7,13H,8-11,16H2
InChIKeyFVKIPDWTIOOBRC-UHFFFAOYSA-N
XLogP1.24
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168661198
5-oxo-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 168698340
4-(aminomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one
CID 168660316
4-(aminomethyl)-1-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
CID 168660067
4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one
CID 168661209
4-(bromomethyl)-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168506098
4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
CID 168660724
4-(bromomethyl)-1-(4-pyrazol-1-ylphenyl)pyrrolidin-2-one
CID 168505566
4-(aminomethyl)-1-[4-(azepan-1-yl)phenyl]pyrrolidin-2-one
CID 168660723
4-(aminomethyl)-1-(1-propylpyrazol-4-yl)pyrrolidin-2-one
CID 168659272
1-(4-ethylphenyl)-5-oxo-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 60552206
4-(aminomethyl)-1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168660066

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidin-2-one (CID 168661197) is 4-(aminomethyl)-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidin-2-one is NCC1CC(=O)N(c2ccc(Cn3cccn3)cc2)C1.
What is the InChIKey of 4-(aminomethyl)-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidin-2-one?
The InChIKey is FVKIPDWTIOOBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-9-13-8-15(20)19(11-13)14-4-2-12(3-5-14)10-18-7-1-6-17-18/h1-7,13H,8-11,16H2.
What are the key properties of 4-(aminomethyl)-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidin-2-one has a molecular weight of 270.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168661197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).