propan-2-yl 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate

C14H25N3O3 — CID 66401684

IUPACpropan-2-yl 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
SMILESCOCCNCc1c(C)nn(CC(=O)OC(C)C)c1C
InChIInChI=1S/C14H25N3O3/c1-10(2)20-14(18)9-17-12(4)13(11(3)16-17)8-15-6-7-19-5/h10,15H,6-9H2,1-5H3
InChIKeyCEXLLSZVLPWBBO-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.19
Rot. Bonds8

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

propan-2-yl 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate (PubChem CID 66401684) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is propan-2-yl 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
PubChem CID66401684
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Namepropan-2-yl 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
SMILESCOCCNCc1c(C)nn(CC(=O)OC(C)C)c1C
InChIInChI=1S/C14H25N3O3/c1-10(2)20-14(18)9-17-12(4)13(11(3)16-17)8-15-6-7-19-5/h10,15H,6-9H2,1-5H3
InChIKeyCEXLLSZVLPWBBO-UHFFFAOYSA-N
XLogP1.19
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 66402660
N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 66401290
propan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride
CID 71757919
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
ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate
CID 66400895
propan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate
CID 79237085
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
2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 43647774
N-[[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66403432

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate (CID 66401684) is propan-2-yl 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate is COCCNCc1c(C)nn(CC(=O)OC(C)C)c1C.
What is the InChIKey of propan-2-yl 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate?
The InChIKey is CEXLLSZVLPWBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10(2)20-14(18)9-17-12(4)13(11(3)16-17)8-15-6-7-19-5/h10,15H,6-9H2,1-5H3.
What are the key properties of propan-2-yl 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate?
propan-2-yl 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate has a molecular weight of 283.37 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate is sourced from PubChem (CID 66401684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).