2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-1-pyrrolidin-1-ylethanone

C15H26N4O2 — CID 66402660

IUPAC2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCOCCNCc1c(C)nn(CC(=O)N2CCCC2)c1C
InChIInChI=1S/C15H26N4O2/c1-12-14(10-16-6-9-21-3)13(2)19(17-12)11-15(20)18-7-4-5-8-18/h16H,4-11H2,1-3H3
InChIKeyULKFGIMKRIRNPO-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.86
Rot. Bonds7

About 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 66402660) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID66402660
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCOCCNCc1c(C)nn(CC(=O)N2CCCC2)c1C
InChIInChI=1S/C15H26N4O2/c1-12-14(10-16-6-9-21-3)13(2)19(17-12)11-15(20)18-7-4-5-8-18/h16H,4-11H2,1-3H3
InChIKeyULKFGIMKRIRNPO-UHFFFAOYSA-N
XLogP0.86
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 66401288
N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 66401290
propan-2-yl 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 66401684
2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone
CID 43647773
1-(azepan-1-yl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]propan-1-one
CID 110910977
N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 62732261
4-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-methylbutanamide
CID 66400695
3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde
CID 43647185
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 39891679
2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-1-piperidin-1-ylethanone
CID 66206840
3-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylpropan-1-amine
CID 114526188
N-[[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 106717707

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-1-pyrrolidin-1-ylethanone (CID 66402660) is 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-1-pyrrolidin-1-ylethanone is COCCNCc1c(C)nn(CC(=O)N2CCCC2)c1C.
What is the InChIKey of 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is ULKFGIMKRIRNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12-14(10-16-6-9-21-3)13(2)19(17-12)11-15(20)18-7-4-5-8-18/h16H,4-11H2,1-3H3.
What are the key properties of 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 294.40 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 66402660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).