CAS 957261-64-2|2-chloro-N-(1-methylpyrazol-4-yl)acetamide|2-chloro-N-(1-methyl-1H-pyrazol-4-yl)acetamide|2-Chloro-N-(1-methyl-1H-pyrazol-4-yl)-acetamide|2-chloro-N-(1-methyl-1H-pyrazol-4-yl)acetami...

General Information

Structure

Molecular Formula

C₆H₈ClN₃O

Molecular Mass

173.60022

Exact Mass

173.03558957

Charge

InChI

InChI=1S/C6H8ClN3O/c1-10-4-5(3-8-10)9-6(11)2-7/h3-4H,2H2,1H3,(H,9,11)

InChIKey

JKMBFTFWNDHJCA-UHFFFAOYSA-N

Canonic Smiles

ClCC(=O)Nc1cnn(c1)C

Isomeric Smiles

c1(cn(nc1)C)NC(=O)CCl

Calculated Properties

JChem

Acid pKa

11.424108

H Acceptors

H Donor

LogD (pH = 5.5)

0.17613739

LogD (pH = 7.4)

0.17612074

Log P

0.17616005

Molar Refractivity

54.5776

Polarizability

15.714681

Polar Surface Area

46.92

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

2-chloro-N-(1-methylpyrazol-4-yl)acetamide

IUPAC name

2-chloro-N-(1-methyl-1H-pyrazol-4-yl)acetamide

Synonyms

2-Chloro-N-(1-methyl-1H-pyrazol-4-yl)-acetamide2-chloro-N-(1-methyl-1H-pyrazol-4-yl)acetamide

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Registration numbers

Properties

Safety Information

MSDS Link

Download link

Storage Warning

IRRITANT

TSCA Listed

false

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Navigation

General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• IUPAC Traditional name

• IUPAC name

• Synonyms

Registration numbers

• CAS Number

• MDL Number

• PubChem CID

• PubChem SID

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:31303