1-(5-chloro-1-methylpyrazol-3-yl)ethanone

C6H7ClN2O — CID 84716685

IUPAC1-(5-chloro-1-methylpyrazol-3-yl)ethanone
SMILESCC(=O)c1cc(Cl)n(C)n1
InChIInChI=1S/C6H7ClN2O/c1-4(10)5-3-6(7)9(2)8-5/h3H,1-2H3
InChIKeyHGNUKWYVPBUQMW-UHFFFAOYSA-N
MW158.59 g/mol
LogP1.28
Rot. Bonds1

About 1-(5-chloro-1-methylpyrazol-3-yl)ethanone

1-(5-chloro-1-methylpyrazol-3-yl)ethanone (PubChem CID 84716685) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 1-(5-chloro-1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-1-methylpyrazol-3-yl)ethanone
PubChem CID84716685
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name1-(5-chloro-1-methylpyrazol-3-yl)ethanone
SMILESCC(=O)c1cc(Cl)n(C)n1
InChIInChI=1S/C6H7ClN2O/c1-4(10)5-3-6(7)9(2)8-5/h3H,1-2H3
InChIKeyHGNUKWYVPBUQMW-UHFFFAOYSA-N
XLogP1.28
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethyl-2H-pyrazole-3-carbonyl chloride
CID 2736299
1-(1,3-dimethyl-1H-pyrazol-5-yl)ethan-1-one
CID 7017503
5-chloro-1-methyl-1H-pyrazole-3-carbaldehyde
CID 84716297
3-Chloro-1-methyl-1H-pyrazole-5-carbaldehyde
CID 17794478
1-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)ethan-1-one
CID 19619407
1,5-Dimethyl-1H-Pyrazole-3-Carbonyl Chloride
CID 2776364
1-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)ethanone
CID 75175984
1-(3-bromo-1-methyl-1H-pyrazol-5-yl)ethan-1-one
CID 155937691
2-chloro-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-one
CID 53416721
2-chloro-1-(1-methyl-1H-pyrazol-3-yl)ethan-1-one
CID 103613887
2-chloro-1-(1,5-dimethyl-1H-pyrazol-3-yl)ethan-1-one
CID 130485689
1-(3-Chloro-1-methylpyrazol-5-yl)ethanone
CID 76316448

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(5-chloro-1-methylpyrazol-3-yl)ethanone (CID 84716685) is 1-(5-chloro-1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(5-chloro-1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(5-chloro-1-methylpyrazol-3-yl)ethanone is CC(=O)c1cc(Cl)n(C)n1.
What is the InChIKey of 1-(5-chloro-1-methylpyrazol-3-yl)ethanone?
The InChIKey is HGNUKWYVPBUQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-4(10)5-3-6(7)9(2)8-5/h3H,1-2H3.
What are the key properties of 1-(5-chloro-1-methylpyrazol-3-yl)ethanone?
1-(5-chloro-1-methylpyrazol-3-yl)ethanone has a molecular weight of 158.59 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 84716685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).