2-methylpyrazole-3-carbonyl chloride

C5H5ClN2O — CID 3164932

IUPAC2-methylpyrazole-3-carbonyl chloride
SMILESCn1nccc1C(=O)Cl
InChIInChI=1S/C5H5ClN2O/c1-8-4(5(6)9)2-3-7-8/h2-3H,1H3
InChIKeyJJMGMMBYVVRVHI-UHFFFAOYSA-N
MW144.56 g/mol
LogP0.80
Rot. Bonds1

About 2-methylpyrazole-3-carbonyl chloride

2-methylpyrazole-3-carbonyl chloride (PubChem CID 3164932) has the molecular formula C5H5ClN2O and a molecular weight of 144.56 g/mol. Its IUPAC name is 2-methylpyrazole-3-carbonyl chloride.

Molecular Properties

Compound Name2-methylpyrazole-3-carbonyl chloride
PubChem CID3164932
Molecular FormulaC5H5ClN2O
Molecular Weight144.56 g/mol
Exact Mass144.01
IUPAC Name2-methylpyrazole-3-carbonyl chloride
SMILESCn1nccc1C(=O)Cl
InChIInChI=1S/C5H5ClN2O/c1-8-4(5(6)9)2-3-7-8/h2-3H,1H3
InChIKeyJJMGMMBYVVRVHI-UHFFFAOYSA-N
XLogP0.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.56
LogP ≤ 50.80
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

1-Methyl-1H-pyrazole-3-carboxaldehyde
CID 7026090
2,5-Dimethyl-2H-pyrazole-3-carbonyl chloride
CID 2736299
1-Ethyl-3-methyl-1H-pyrazole-5-carbonyl chloride
CID 2737415
1-methyl-1H-pyrazole-5-carbaldehyde
CID 7019414
1-Methyl-1H-pyrazole-3-carboxamide
CID 13464586
1-methyl-1H-pyrazole-5-carboxamide
CID 7020587
1-ethyl-1H-pyrazole-5-carbonyl chloride
CID 3164933
1-ethyl-1H-pyrazole-5-carbaldehyde
CID 7009534
1-ethyl-1H-pyrazole-3-carbaldehyde
CID 7019415
4-chloro-1-methyl-1H-pyrazole-5-carbaldehyde
CID 7020586
1-Methyl-1H-pyrazole-3-carbonyl chloride
CID 12845045
1-propyl-1H-pyrazole-3-carbaldehyde
CID 19576905

Frequently Asked Questions

What is the IUPAC name of 2-methylpyrazole-3-carbonyl chloride?
The IUPAC name of 2-methylpyrazole-3-carbonyl chloride (CID 3164932) is 2-methylpyrazole-3-carbonyl chloride.
What is the SMILES notation for 2-methylpyrazole-3-carbonyl chloride?
The canonical SMILES for 2-methylpyrazole-3-carbonyl chloride is Cn1nccc1C(=O)Cl.
What is the InChIKey of 2-methylpyrazole-3-carbonyl chloride?
The InChIKey is JJMGMMBYVVRVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O/c1-8-4(5(6)9)2-3-7-8/h2-3H,1H3.
What are the key properties of 2-methylpyrazole-3-carbonyl chloride?
2-methylpyrazole-3-carbonyl chloride has a molecular weight of 144.56 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrazole-3-carbonyl chloride is sourced from PubChem (CID 3164932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).