1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(methylamino)ethanone

C8H12ClN3O — CID 83831960

IUPAC1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(Cl)c(C)nn1C
InChIInChI=1S/C8H12ClN3O/c1-5-7(9)8(12(3)11-5)6(13)4-10-2/h10H,4H2,1-3H3
InChIKeyHLVJLDGWSRAVOK-UHFFFAOYSA-N
MW201.66 g/mol
LogP0.78
Rot. Bonds3

About 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(methylamino)ethanone

1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(methylamino)ethanone (PubChem CID 83831960) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(methylamino)ethanone
PubChem CID83831960
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(Cl)c(C)nn1C
InChIInChI=1S/C8H12ClN3O/c1-5-7(9)8(12(3)11-5)6(13)4-10-2/h10H,4H2,1-3H3
InChIKeyHLVJLDGWSRAVOK-UHFFFAOYSA-N
XLogP0.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1,3-dimethylpyrazole-5-carboxylate
CID 4744006
4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19476931
1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone
CID 83829041
4-chloro-N-hexyl-1,3-dimethylpyrazole-5-carboxamide
CID 19476881
1-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-3-methylthiourea
CID 843640
4-chloro-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19477120
1-(3-ethyl-5-methylimidazol-4-yl)-2-(methylamino)ethanone
CID 82408247
4-chloro-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 17020877
4-chloro-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4772684
N-(4-acetylphenyl)-4-chloro-1,3-dimethylpyrazole-5-carboxamide
CID 19476903
4-chloro-N-[1-(methoxymethyl)cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide
CID 77083879
1-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide
CID 118781670

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(methylamino)ethanone (CID 83831960) is 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(methylamino)ethanone is CNCC(=O)c1c(Cl)c(C)nn1C.
What is the InChIKey of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(methylamino)ethanone?
The InChIKey is HLVJLDGWSRAVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-5-7(9)8(12(3)11-5)6(13)4-10-2/h10H,4H2,1-3H3.
What are the key properties of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(methylamino)ethanone?
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(methylamino)ethanone has a molecular weight of 201.66 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 83831960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).