5-chloro-1-methylpyrazole-3-carbaldehyde

C5H5ClN2O — CID 84716297

IUPAC5-chloro-1-methylpyrazole-3-carbaldehyde
SMILESCn1nc(C=O)cc1Cl
InChIInChI=1S/C5H5ClN2O/c1-8-5(6)2-4(3-9)7-8/h2-3H,1H3
InChIKeyBCRFXGVLDOAKMG-UHFFFAOYSA-N
MW144.56 g/mol
LogP0.89
Rot. Bonds1

About 5-chloro-1-methylpyrazole-3-carbaldehyde

5-chloro-1-methylpyrazole-3-carbaldehyde (PubChem CID 84716297) has the molecular formula C5H5ClN2O and a molecular weight of 144.56 g/mol. Its IUPAC name is 5-chloro-1-methylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-methylpyrazole-3-carbaldehyde
PubChem CID84716297
Molecular FormulaC5H5ClN2O
Molecular Weight144.56 g/mol
Exact Mass144.01
IUPAC Name5-chloro-1-methylpyrazole-3-carbaldehyde
SMILESCn1nc(C=O)cc1Cl
InChIInChI=1S/C5H5ClN2O/c1-8-5(6)2-4(3-9)7-8/h2-3H,1H3
InChIKeyBCRFXGVLDOAKMG-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-1-methylpyrazole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Chloro-1-methyl-1H-pyrazole-5-carbaldehyde
CID 17794478
1,5-Dimethyl-1H-Pyrazole-3-Carbonyl Chloride
CID 2776364
5-iodo-1-methyl-1H-pyrazole-3-carbaldehyde
CID 134523735
1-(3-Chloro-1-methylpyrazol-5-yl)ethanone
CID 76316448
4-Chloro-5-fluoro-1-methylpyrazole-3-carbaldehyde
CID 178682850
3-Fluoro-1-methylpyrazole-5-carbaldehyde
CID 84647991
5-fluoro-1-methyl-1H-pyrazole-3-carbaldehyde
CID 164664764
5-fluoro-1-methyl-1H-pyrazole-3-carbonyl chloride
CID 164664768
3-Chloro-1-methyl-1h-pyrazole-5-carbonyl chloride
CID 18970462
5-Chloro-1-methyl-1H-pyrazole-3-carbonyl chloride
CID 21697990
1-(5-Chloro-1-methylpyrazol-3-yl)ethanone
CID 84716685
3-chloro-N-methoxy-1-methylpyrazole-5-carboxamide
CID 85709365

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methylpyrazole-3-carbaldehyde?
The IUPAC name of 5-chloro-1-methylpyrazole-3-carbaldehyde (CID 84716297) is 5-chloro-1-methylpyrazole-3-carbaldehyde.
What is the SMILES notation for 5-chloro-1-methylpyrazole-3-carbaldehyde?
The canonical SMILES for 5-chloro-1-methylpyrazole-3-carbaldehyde is Cn1nc(C=O)cc1Cl.
What is the InChIKey of 5-chloro-1-methylpyrazole-3-carbaldehyde?
The InChIKey is BCRFXGVLDOAKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O/c1-8-5(6)2-4(3-9)7-8/h2-3H,1H3.
What are the key properties of 5-chloro-1-methylpyrazole-3-carbaldehyde?
5-chloro-1-methylpyrazole-3-carbaldehyde has a molecular weight of 144.56 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methylpyrazole-3-carbaldehyde is sourced from PubChem (CID 84716297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).