N-[3-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride

C12H23ClN4O2 — CID 119433105

IUPACN-[3-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
SMILESCNCCCNC(=O)COc1c(C)nn(C)c1C.Cl
InChIInChI=1S/C12H22N4O2.ClH/c1-9-12(10(2)16(4)15-9)18-8-11(17)14-7-5-6-13-3;/h13H,5-8H2,1-4H3,(H,14,17);1H
InChIKeyWZLNLUKETJOMGI-UHFFFAOYSA-N
MW290.80 g/mol
LogP0.56
Rot. Bonds7

About N-[3-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride

N-[3-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride (PubChem CID 119433105) has the molecular formula C12H23ClN4O2 and a molecular weight of 290.80 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
PubChem CID119433105
Molecular FormulaC12H23ClN4O2
Molecular Weight290.80 g/mol
Exact Mass290.15
IUPAC NameN-[3-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
SMILESCNCCCNC(=O)COc1c(C)nn(C)c1C.Cl
InChIInChI=1S/C12H22N4O2.ClH/c1-9-12(10(2)16(4)15-9)18-8-11(17)14-7-5-6-13-3;/h13H,5-8H2,1-4H3,(H,14,17);1H
InChIKeyWZLNLUKETJOMGI-UHFFFAOYSA-N
XLogP0.56
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119384708
N-(3-aminobutyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119498514
N-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119537028
4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride
CID 119731648
4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119725168
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119526824
2-(1,3,5-trimethylpyrazol-4-yl)oxy-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 71971323
N-(5-amino-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 120568365
N-[1-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 122143501
N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 166217948
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 71970941
1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119430925

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride (CID 119433105) is N-[3-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride is CNCCCNC(=O)COc1c(C)nn(C)c1C.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride?
The InChIKey is WZLNLUKETJOMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2.ClH/c1-9-12(10(2)16(4)15-9)18-8-11(17)14-7-5-6-13-3;/h13H,5-8H2,1-4H3,(H,14,17);1H.
What are the key properties of N-[3-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride?
N-[3-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride has a molecular weight of 290.80 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride is sourced from PubChem (CID 119433105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).