4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl chloride

C7H8Cl2N2O — CID 45081914

IUPAC4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl chloride
SMILESCCc1nn(C)c(C(=O)Cl)c1Cl
InChIInChI=1S/C7H8Cl2N2O/c1-3-4-5(8)6(7(9)12)11(2)10-4/h3H2,1-2H3
InChIKeyJDTKMFFTJSSMPR-UHFFFAOYSA-N
MW207.06 g/mol
LogP2.01
Rot. Bonds2

About 4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl chloride

4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl chloride (PubChem CID 45081914) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is 4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl chloride.

Molecular Properties

Compound Name4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl chloride
PubChem CID45081914
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl chloride
SMILESCCc1nn(C)c(C(=O)Cl)c1Cl
InChIInChI=1S/C7H8Cl2N2O/c1-3-4-5(8)6(7(9)12)11(2)10-4/h3H2,1-2H3
InChIKeyJDTKMFFTJSSMPR-UHFFFAOYSA-N
XLogP2.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-3-ethyl-1-methylpyrazole-5-carboxamide
CID 23359470
3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride
CID 2735684
4-chloro-1,3-dimethyl-1H-pyrazole-5-carbaldehyde
CID 50896588
4-Chloro-1,5-dimethyl-1H-pyrazole-3-carboxaldehyde
CID 82415716
4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carbaldehyde
CID 83905991
3-tert-butyl-4-chloro-1-methyl-1H-pyrazole-5-carbaldehyde
CID 83908379
4-Chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl chloride
CID 14995820
4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid hydrazide
CID 15328377
1,3,4-Trimethyl-1H-pyrazole-5-carbonyl chloride
CID 45081425
4-Chloro-1-ethyl-3-methylpyrazole-5-carbonyl chloride
CID 139236855
4-Chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride
CID 14836867
1-[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]ethanone
CID 19619408

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl chloride?
The IUPAC name of 4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl chloride (CID 45081914) is 4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl chloride.
What is the SMILES notation for 4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl chloride?
The canonical SMILES for 4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl chloride is CCc1nn(C)c(C(=O)Cl)c1Cl.
What is the InChIKey of 4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl chloride?
The InChIKey is JDTKMFFTJSSMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O/c1-3-4-5(8)6(7(9)12)11(2)10-4/h3H2,1-2H3.
What are the key properties of 4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl chloride?
4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl chloride has a molecular weight of 207.06 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl chloride is sourced from PubChem (CID 45081914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).