1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone

C7H10ClN3O — CID 83829041

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C7H10ClN3O/c1-9-4-6(12)7-5(8)3-10-11(7)2/h3,9H,4H2,1-2H3
InChIKeyGKOUHPKPWQWTIV-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.48
Rot. Bonds3

About 1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone

1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone (PubChem CID 83829041) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone
PubChem CID83829041
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C7H10ClN3O/c1-9-4-6(12)7-5(8)3-10-11(7)2/h3,9H,4H2,1-2H3
InChIKeyGKOUHPKPWQWTIV-UHFFFAOYSA-N
XLogP0.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
1-(4-chloro-1-methylpyrazol-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 114669462
4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one
CID 114669269
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethanone
CID 114642247
1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-(methylamino)propan-1-one
CID 114669032
1-(4-chloro-1-methylpyrazol-5-yl)-2-propoxyethanone
CID 114639642
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(methylamino)ethanone
CID 83831960
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)hexan-1-one
CID 114671020
2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
CID 114669615
1-(4-chloro-1-methylpyrazol-5-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 114669017
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 114639858

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone (CID 83829041) is 1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone is CNCC(=O)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone?
The InChIKey is GKOUHPKPWQWTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-9-4-6(12)7-5(8)3-10-11(7)2/h3,9H,4H2,1-2H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone?
1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone has a molecular weight of 187.63 g/mol, XLogP of 0.48, 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-methylpyrazol-5-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 83829041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).