N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane

C10H19N3O — CID 142558548

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
SMILESCC.CC(=O)NCc1cn(C)nc1C
InChIInChI=1S/C8H13N3O.C2H6/c1-6-8(4-9-7(2)12)5-11(3)10-6;1-2/h5H,4H2,1-3H3,(H,9,12);1-2H3
InChIKeyIPOXOOOFNXUKMR-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.39
Rot. Bonds2

About N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane

N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane (PubChem CID 142558548) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
PubChem CID142558548
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
SMILESCC.CC(=O)NCc1cn(C)nc1C
InChIInChI=1S/C8H13N3O.C2H6/c1-6-8(4-9-7(2)12)5-11(3)10-6;1-2/h5H,4H2,1-3H3,(H,9,12);1-2H3
InChIKeyIPOXOOOFNXUKMR-UHFFFAOYSA-N
XLogP1.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 42352342
2-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide
CID 112668685
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxypentanamide
CID 112672114
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 83089472
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 112669565
5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 112668674
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279610
N-(cyanomethyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetamide
CID 112669044
1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylguanidine
CID 112670222
ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate
CID 83088889
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 112705231

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane (CID 142558548) is N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane is CC.CC(=O)NCc1cn(C)nc1C.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane?
The InChIKey is IPOXOOOFNXUKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.C2H6/c1-6-8(4-9-7(2)12)5-11(3)10-6;1-2/h5H,4H2,1-3H3,(H,9,12);1-2H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane?
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane has a molecular weight of 197.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane is sourced from PubChem (CID 142558548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).