5-chloro-1,3-dimethylpyrazole-4-carbonyl chloride

C6H6Cl2N2O — CID 11745492

IUPAC5-chloro-1,3-dimethylpyrazole-4-carbonyl chloride
SMILESCc1nn(C)c(Cl)c1C(=O)Cl
InChIInChI=1S/C6H6Cl2N2O/c1-3-4(6(8)11)5(7)10(2)9-3/h1-2H3
InChIKeyWIWMMJPXRWAZBB-UHFFFAOYSA-N
MW193.03 g/mol
LogP1.76
Rot. Bonds1

About 5-chloro-1,3-dimethylpyrazole-4-carbonyl chloride

5-chloro-1,3-dimethylpyrazole-4-carbonyl chloride (PubChem CID 11745492) has the molecular formula C6H6Cl2N2O and a molecular weight of 193.03 g/mol. Its IUPAC name is 5-chloro-1,3-dimethylpyrazole-4-carbonyl chloride.

Molecular Properties

Compound Name5-chloro-1,3-dimethylpyrazole-4-carbonyl chloride
PubChem CID11745492
Molecular FormulaC6H6Cl2N2O
Molecular Weight193.03 g/mol
Exact Mass191.99
IUPAC Name5-chloro-1,3-dimethylpyrazole-4-carbonyl chloride
SMILESCc1nn(C)c(Cl)c1C(=O)Cl
InChIInChI=1S/C6H6Cl2N2O/c1-3-4(6(8)11)5(7)10(2)9-3/h1-2H3
InChIKeyWIWMMJPXRWAZBB-UHFFFAOYSA-N
XLogP1.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.03
LogP ≤ 51.76
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

trimethyl-1H-pyrazole-4-carbonyl chloride
CID 13637622
5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde
CID 2777397
5-chloro-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 1474979
5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CID 1478459
5-chloro-N,N,1-trimethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 4329180
1-butyl-5-chloro-3-methyl-1H-pyrazole-4-carbaldehyde
CID 3747293
5-chloro-3-methyl-1-(2-methylpropyl)-1H-pyrazole-4-carbaldehyde
CID 5015913
5-chloro-3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carbaldehyde
CID 126995133
5-chloro-1-(2-chloroethyl)-3-methyl-1H-pyrazole-4-carbaldehyde
CID 145867134
1-[5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-ethanone
CID 2783021
5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride
CID 2794585
5-Fluoro-1,3-dimethyl-1H-pyrazole-4-carbonyl chloride
CID 10866879

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethylpyrazole-4-carbonyl chloride?
The IUPAC name of 5-chloro-1,3-dimethylpyrazole-4-carbonyl chloride (CID 11745492) is 5-chloro-1,3-dimethylpyrazole-4-carbonyl chloride.
What is the SMILES notation for 5-chloro-1,3-dimethylpyrazole-4-carbonyl chloride?
The canonical SMILES for 5-chloro-1,3-dimethylpyrazole-4-carbonyl chloride is Cc1nn(C)c(Cl)c1C(=O)Cl.
What is the InChIKey of 5-chloro-1,3-dimethylpyrazole-4-carbonyl chloride?
The InChIKey is WIWMMJPXRWAZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O/c1-3-4(6(8)11)5(7)10(2)9-3/h1-2H3.
What are the key properties of 5-chloro-1,3-dimethylpyrazole-4-carbonyl chloride?
5-chloro-1,3-dimethylpyrazole-4-carbonyl chloride has a molecular weight of 193.03 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethylpyrazole-4-carbonyl chloride is sourced from PubChem (CID 11745492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).