N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethylacetamide;ethane

C12H23N3O — CID 176985494

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethylacetamide;ethane
SMILESCC.CCN(Cc1c(C)n[nH]c1C)C(C)=O
InChIInChI=1S/C10H17N3O.C2H6/c1-5-13(9(4)14)6-10-7(2)11-12-8(10)3;1-2/h5-6H2,1-4H3,(H,11,12);1-2H3
InChIKeyHSSFTYXYODROLV-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.42
Rot. Bonds3

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethylacetamide;ethane

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethylacetamide;ethane (PubChem CID 176985494) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethylacetamide;ethane.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethylacetamide;ethane
PubChem CID176985494
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethylacetamide;ethane
SMILESCC.CCN(Cc1c(C)n[nH]c1C)C(C)=O
InChIInChI=1S/C10H17N3O.C2H6/c1-5-13(9(4)14)6-10-7(2)11-12-8(10)3;1-2/h5-6H2,1-4H3,(H,11,12);1-2H3
InChIKeyHSSFTYXYODROLV-UHFFFAOYSA-N
XLogP2.42
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethyl-1H-pyrazol-4-ylmethyl)isopropylammonium chloride monohydrate
CID 139060191
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide
CID 77092657
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 86808592
3-[2-cyanoethyl-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanenitrile
CID 86816768
N~1~-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-D-leucinamide
CID 90647268
N~1~-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N~1~-methyl-N~3~-(methylsulfonyl)-beta-alaninamide
CID 90648547
N~1~-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N~1~-methyl-L-isoleucinamide
CID 90649673
N~1~-(tert-butyl)-N~3~-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N~3~-methyl-beta-alaninamide
CID 91830246
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 97150111
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide
CID 99949285
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide
CID 124753671
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine
CID 126776910

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethylacetamide;ethane?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethylacetamide;ethane (CID 176985494) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethylacetamide;ethane.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethylacetamide;ethane?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethylacetamide;ethane is CC.CCN(Cc1c(C)n[nH]c1C)C(C)=O.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethylacetamide;ethane?
The InChIKey is HSSFTYXYODROLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O.C2H6/c1-5-13(9(4)14)6-10-7(2)11-12-8(10)3;1-2/h5-6H2,1-4H3,(H,11,12);1-2H3.
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethylacetamide;ethane?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethylacetamide;ethane has a molecular weight of 225.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethylacetamide;ethane is sourced from PubChem (CID 176985494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).