2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide

C11H20N4O — CID 86789477

IUPAC2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide
SMILESCCC(NCC(N)=O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H20N4O/c1-5-9(13-6-10(12)16)11-7(2)14-15(4)8(11)3/h9,13H,5-6H2,1-4H3,(H2,12,16)
InChIKeyOJVOJSICBXBXPJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.56
Rot. Bonds5

About 2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide

2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide (PubChem CID 86789477) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide.

Molecular Properties

Compound Name2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide
PubChem CID86789477
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide
SMILESCCC(NCC(N)=O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H20N4O/c1-5-9(13-6-10(12)16)11-7(2)14-15(4)8(11)3/h9,13H,5-6H2,1-4H3,(H2,12,16)
InChIKeyOJVOJSICBXBXPJ-UHFFFAOYSA-N
XLogP0.56
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoprop-2-enyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 115717343
2-amino-3-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]propanamide
CID 120991191
(2S,5R)-5-(aminomethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxolane-2-carboxamide;hydrochloride
CID 120795461
(2S)-2-ethyl-2-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]morpholine-4-carboxamide
CID 99857636
2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
CID 95898801
3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 75386997
2-amino-5-nitro-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
CID 99790565
2-hydroxy-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propanamide
CID 114153544
1-(2-hydroxy-2,5-dimethylhexyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea
CID 111508899
N-(5-methyl-1,3-thiazol-2-yl)-N'-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxamide
CID 99604213
1-[(2-methylfuran-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea
CID 71990495
3-(3-hydroxy-4-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide
CID 127265718

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide?
The IUPAC name of 2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide (CID 86789477) is 2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide.
What is the SMILES notation for 2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide?
The canonical SMILES for 2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide is CCC(NCC(N)=O)c1c(C)nn(C)c1C.
What is the InChIKey of 2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide?
The InChIKey is OJVOJSICBXBXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-5-9(13-6-10(12)16)11-7(2)14-15(4)8(11)3/h9,13H,5-6H2,1-4H3,(H2,12,16).
What are the key properties of 2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide?
2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide has a molecular weight of 224.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide is sourced from PubChem (CID 86789477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).