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

C9H16N4O — CID 28607436

IUPAC2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
SMILESCc1nn(C)c(C)c1CNCC(N)=O
InChIInChI=1S/C9H16N4O/c1-6-8(4-11-5-9(10)14)7(2)13(3)12-6/h11H,4-5H2,1-3H3,(H2,10,14)
InChIKeyUMXLJGPUYVGAHB-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.39
Rot. Bonds4

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

2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide (PubChem CID 28607436) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound Name2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
PubChem CID28607436
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
SMILESCc1nn(C)c(C)c1CNCC(N)=O
InChIInChI=1S/C9H16N4O/c1-6-8(4-11-5-9(10)14)7(2)13(3)12-6/h11H,4-5H2,1-3H3,(H2,10,14)
InChIKeyUMXLJGPUYVGAHB-UHFFFAOYSA-N
XLogP-0.39
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(trimethyl-1H-pyrazol-4-yl)methyl]piperazine
CID 6485353
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1-isobutyl-3-oxo-2-piperazinyl)acetamide
CID 16190571
1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine
CID 7175809
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
Sbb010340
CID 6492580
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16191037
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanamide
CID 39891339
5-hydroxy-N-isopropyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 46998021
N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-fluoropyrrolidin-1-yl]acetamide
CID 50962692
2-(4-acetylpiperazin-1-yl)-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 50975736
1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 70759029

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide?
The IUPAC name of 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide (CID 28607436) is 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide.
What is the SMILES notation for 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide?
The canonical SMILES for 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide is Cc1nn(C)c(C)c1CNCC(N)=O.
What is the InChIKey of 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide?
The InChIKey is UMXLJGPUYVGAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6-8(4-11-5-9(10)14)7(2)13(3)12-6/h11H,4-5H2,1-3H3,(H2,10,14).
What are the key properties of 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide?
2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide has a molecular weight of 196.25 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 28607436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).