N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

C9H15N3O — CID 118615622

IUPACN-methyl-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCNC(=O)Cn1nc(C)c(C)c1C
InChIInChI=1S/C9H15N3O/c1-6-7(2)11-12(8(6)3)5-9(13)10-4/h5H2,1-4H3,(H,10,13)
InChIKeyYAYAFTDOIJTUGC-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.55
Rot. Bonds2

About N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (PubChem CID 118615622) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
PubChem CID118615622
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-methyl-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCNC(=O)Cn1nc(C)c(C)c1C
InChIInChI=1S/C9H15N3O/c1-6-7(2)11-12(8(6)3)5-9(13)10-4/h5H2,1-4H3,(H,10,13)
InChIKeyYAYAFTDOIJTUGC-UHFFFAOYSA-N
XLogP0.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(trimethyl-1H-pyrazol-4-yl)acetamide
CID 41031989
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-(2-acetamidoethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 72043909
N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide
CID 97410117

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (CID 118615622) is N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is CNC(=O)Cn1nc(C)c(C)c1C.
What is the InChIKey of N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The InChIKey is YAYAFTDOIJTUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-7(2)11-12(8(6)3)5-9(13)10-4/h5H2,1-4H3,(H,10,13).
What are the key properties of N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)acetamide has a molecular weight of 181.24 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 118615622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).