2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide

C12H21N3O — CID 110716730

IUPAC2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
SMILESCc1nn(CCNC(=O)C(C)C)c(C)c1C
InChIInChI=1S/C12H21N3O/c1-8(2)12(16)13-6-7-15-11(5)9(3)10(4)14-15/h8H,6-7H2,1-5H3,(H,13,16)
InChIKeyAUWJAWOSNAMPRZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.58
Rot. Bonds4

About 2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide

2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide (PubChem CID 110716730) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
PubChem CID110716730
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
SMILESCc1nn(CCNC(=O)C(C)C)c(C)c1C
InChIInChI=1S/C12H21N3O/c1-8(2)12(16)13-6-7-15-11(5)9(3)10(4)14-15/h8H,6-7H2,1-5H3,(H,13,16)
InChIKeyAUWJAWOSNAMPRZ-UHFFFAOYSA-N
XLogP1.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-methylpiperazin-1-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 125166787
3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide
CID 110716795
3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 110716798
2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 110716759
2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 110716746
2-ethylsulfanyl-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide
CID 118787349
2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 110716769
3,4,5-trimethyl-1-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]pyrazole
CID 131892301
2-(4-methylpyrimidin-2-yl)sulfanyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 91794846
2-(oxolan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 131925877
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 135112641
(2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid
CID 7258416

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide (CID 110716730) is 2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide is Cc1nn(CCNC(=O)C(C)C)c(C)c1C.
What is the InChIKey of 2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide?
The InChIKey is AUWJAWOSNAMPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)12(16)13-6-7-15-11(5)9(3)10(4)14-15/h8H,6-7H2,1-5H3,(H,13,16).
What are the key properties of 2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide?
2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide has a molecular weight of 223.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 110716730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).