4-[(1-benzylpyrazol-4-yl)methylamino]pyrrolidin-2-one

C15H18N4O — CID 106183548

IUPAC4-[(1-benzylpyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2cnn(Cc3ccccc3)c2)CN1
InChIInChI=1S/C15H18N4O/c20-15-6-14(9-17-15)16-7-13-8-18-19(11-13)10-12-4-2-1-3-5-12/h1-5,8,11,14,16H,6-7,9-10H2,(H,17,20)
InChIKeyVTVQPMKPOXEWSW-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.91
Rot. Bonds5

About 4-[(1-benzylpyrazol-4-yl)methylamino]pyrrolidin-2-one

4-[(1-benzylpyrazol-4-yl)methylamino]pyrrolidin-2-one (PubChem CID 106183548) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-[(1-benzylpyrazol-4-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(1-benzylpyrazol-4-yl)methylamino]pyrrolidin-2-one
PubChem CID106183548
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-[(1-benzylpyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2cnn(Cc3ccccc3)c2)CN1
InChIInChI=1S/C15H18N4O/c20-15-6-14(9-17-15)16-7-13-8-18-19(11-13)10-12-4-2-1-3-5-12/h1-5,8,11,14,16H,6-7,9-10H2,(H,17,20)
InChIKeyVTVQPMKPOXEWSW-UHFFFAOYSA-N
XLogP0.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-phenylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106183796
N-[(1-benzylpyrazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79353122
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
3-(1-benzylpyrazol-4-yl)piperazin-2-one
CID 131025961
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
N-[(1-benzylpyrazol-4-yl)methyl]-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 86772923
6-(1-benzylpyrazol-4-yl)-5-methylmorpholin-3-one
CID 139343744
N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 72931571
N-[(1-benzylpyrazol-4-yl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136755501
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
CID 83005209
N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine
CID 115635172
N-[(1-benzylpyrazol-4-yl)methyl]-4-iodoaniline
CID 43503117

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[(1-benzylpyrazol-4-yl)methylamino]pyrrolidin-2-one (CID 106183548) is 4-[(1-benzylpyrazol-4-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(1-benzylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[(1-benzylpyrazol-4-yl)methylamino]pyrrolidin-2-one is O=C1CC(NCc2cnn(Cc3ccccc3)c2)CN1.
What is the InChIKey of 4-[(1-benzylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The InChIKey is VTVQPMKPOXEWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15-6-14(9-17-15)16-7-13-8-18-19(11-13)10-12-4-2-1-3-5-12/h1-5,8,11,14,16H,6-7,9-10H2,(H,17,20).
What are the key properties of 4-[(1-benzylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
4-[(1-benzylpyrazol-4-yl)methylamino]pyrrolidin-2-one has a molecular weight of 270.34 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylpyrazol-4-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 106183548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).