3-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylpropan-1-amine

C14H28N4O — CID 114526188

IUPAC3-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCOCCNCc1c(C)nn(CCCN(C)C)c1C
InChIInChI=1S/C14H28N4O/c1-12-14(11-15-7-10-19-5)13(2)18(16-12)9-6-8-17(3)4/h15H,6-11H2,1-5H3
InChIKeyGXVXHYKVZLQXDL-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.19
Rot. Bonds9

About 3-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylpropan-1-amine

3-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 114526188) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID114526188
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name3-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCOCCNCc1c(C)nn(CCCN(C)C)c1C
InChIInChI=1S/C14H28N4O/c1-12-14(11-15-7-10-19-5)13(2)18(16-12)9-6-8-17(3)4/h15H,6-11H2,1-5H3
InChIKeyGXVXHYKVZLQXDL-UHFFFAOYSA-N
XLogP1.19
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.19
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-[(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
N-[[1-(3-imidazol-1-ylpropyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66402467
N-[[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 106717707
4-[[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51105311
N-[[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66403432
N-[[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 60925347
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 66401288
N-(2-methoxyethyl)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
CID 62567391
N-[[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 61483888
propan-2-yl 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 66401684
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62565277

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylpropan-1-amine (CID 114526188) is 3-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylpropan-1-amine is COCCNCc1c(C)nn(CCCN(C)C)c1C.
What is the InChIKey of 3-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is GXVXHYKVZLQXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-12-14(11-15-7-10-19-5)13(2)18(16-12)9-6-8-17(3)4/h15H,6-11H2,1-5H3.
What are the key properties of 3-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylpropan-1-amine?
3-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 1.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 114526188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).