N-(3-aminobutyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride

C12H23ClN4O2 — CID 119498514

IUPACN-(3-aminobutyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
SMILESCc1nn(C)c(C)c1OCC(=O)NCCC(C)N.Cl
InChIInChI=1S/C12H22N4O2.ClH/c1-8(13)5-6-14-11(17)7-18-12-9(2)15-16(4)10(12)3;/h8H,5-7,13H2,1-4H3,(H,14,17);1H
InChIKeyQPDMKDSIJAJERT-UHFFFAOYSA-N
MW290.80 g/mol
LogP0.69
Rot. Bonds6

About N-(3-aminobutyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride

N-(3-aminobutyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride (PubChem CID 119498514) has the molecular formula C12H23ClN4O2 and a molecular weight of 290.80 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
PubChem CID119498514
Molecular FormulaC12H23ClN4O2
Molecular Weight290.80 g/mol
Exact Mass290.15
IUPAC NameN-(3-aminobutyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
SMILESCc1nn(C)c(C)c1OCC(=O)NCCC(C)N.Cl
InChIInChI=1S/C12H22N4O2.ClH/c1-8(13)5-6-14-11(17)7-18-12-9(2)15-16(4)10(12)3;/h8H,5-7,13H2,1-4H3,(H,14,17);1H
InChIKeyQPDMKDSIJAJERT-UHFFFAOYSA-N
XLogP0.69
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119384708
N-[3-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119433105
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119526824
N-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119537028
N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 166217948
N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 119494768
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-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 119497986
N-(3-aminobutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
CID 119496606
N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride
CID 119497323
N-(3-aminobutyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119497988

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride (CID 119498514) is N-(3-aminobutyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride is Cc1nn(C)c(C)c1OCC(=O)NCCC(C)N.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride?
The InChIKey is QPDMKDSIJAJERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2.ClH/c1-8(13)5-6-14-11(17)7-18-12-9(2)15-16(4)10(12)3;/h8H,5-7,13H2,1-4H3,(H,14,17);1H.
What are the key properties of N-(3-aminobutyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride?
N-(3-aminobutyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride has a molecular weight of 290.80 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride is sourced from PubChem (CID 119498514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).