2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

C14H24N4O2 — CID 115615260

IUPAC2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1c(CNC(C)C(=O)N2CCCC2)c(C)nn1C
InChIInChI=1S/C14H24N4O2/c1-10-12(14(20-4)17(3)16-10)9-15-11(2)13(19)18-7-5-6-8-18/h11,15H,5-9H2,1-4H3
InChIKeyVLVNMAPEFQTVFY-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.84
Rot. Bonds5

About 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 115615260) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID115615260
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1c(CNC(C)C(=O)N2CCCC2)c(C)nn1C
InChIInChI=1S/C14H24N4O2/c1-10-12(14(20-4)17(3)16-10)9-15-11(2)13(19)18-7-5-6-8-18/h11,15H,5-9H2,1-4H3
InChIKeyVLVNMAPEFQTVFY-UHFFFAOYSA-N
XLogP0.84
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 53539237
N-cyclopentyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propanamide
CID 53542105
N-cyclopropyl-2-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide
CID 53553031
2-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-N-propylacetamide
CID 53583614
N-[2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 51104735
1-[4-[(5-Methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 51104978
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbutanamide
CID 51105361
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 97833102
N-[[5-methoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2,2-dimethylpropanamide
CID 121368119
N-[[5-methoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide
CID 121371108
1-[(5-Methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 75523147
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 97833101

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 115615260) is 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is COc1c(CNC(C)C(=O)N2CCCC2)c(C)nn1C.
What is the InChIKey of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is VLVNMAPEFQTVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10-12(14(20-4)17(3)16-10)9-15-11(2)13(19)18-7-5-6-8-18/h11,15H,5-9H2,1-4H3.
What are the key properties of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 280.37 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 115615260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).