3-chloro-5-(difluoromethyl)-1-ethylpyrazole-4-carbaldehyde

C7H7ClF2N2O — CID 153366257

IUPAC3-chloro-5-(difluoromethyl)-1-ethylpyrazole-4-carbaldehyde
SMILESCCn1nc(Cl)c(C=O)c1C(F)F
InChIInChI=1S/C7H7ClF2N2O/c1-2-12-5(7(9)10)4(3-13)6(8)11-12/h3,7H,2H2,1H3
InChIKeyXDWATQBJRALDEI-UHFFFAOYSA-N
MW208.59 g/mol
LogP2.31
Rot. Bonds3

About 3-chloro-5-(difluoromethyl)-1-ethylpyrazole-4-carbaldehyde

3-chloro-5-(difluoromethyl)-1-ethylpyrazole-4-carbaldehyde (PubChem CID 153366257) has the molecular formula C7H7ClF2N2O and a molecular weight of 208.59 g/mol. Its IUPAC name is 3-chloro-5-(difluoromethyl)-1-ethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-(difluoromethyl)-1-ethylpyrazole-4-carbaldehyde
PubChem CID153366257
Molecular FormulaC7H7ClF2N2O
Molecular Weight208.59 g/mol
Exact Mass208.02
IUPAC Name3-chloro-5-(difluoromethyl)-1-ethylpyrazole-4-carbaldehyde
SMILESCCn1nc(Cl)c(C=O)c1C(F)F
InChIInChI=1S/C7H7ClF2N2O/c1-2-12-5(7(9)10)4(3-13)6(8)11-12/h3,7H,2H2,1H3
InChIKeyXDWATQBJRALDEI-UHFFFAOYSA-N
XLogP2.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.59
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-5-(difluoromethyl)-1-ethylpyrazole-4-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-5-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol
CID 156705155
3-[[3-chloro-5-(difluoromethyl)-1-ethylpyrazol-4-yl]-difluoromethyl]sulfonyl-5,5-dimethyl-4H-1,2-oxazole
CID 150794983
5-chloro-3-cyclopropyl-1-ethylpyrazole-4-carbaldehyde
CID 63354116
5-chloro-3-methyl-1-pentan-3-ylpyrazole-4-carbaldehyde
CID 61271689
5-chloro-1-pentan-3-yl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 61271690
3-chloro-5-fluoro-1-methylpyrazole-4-carbaldehyde
CID 130286691
4-(bromomethyl)-5-chloro-3-(difluoromethyl)-1-ethylpyrazole
CID 153366265
5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde
CID 61267063
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]propanamide
CID 19535723
3-chloro-1-ethylpyrazole-4,5-diamine
CID 66769875
5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde;5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;methane
CID 161150271
3-[1-[3-chloro-1-(2,2-difluoroethyl)-5-(difluoromethyl)pyrazol-4-yl]ethylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole
CID 151895725

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(difluoromethyl)-1-ethylpyrazole-4-carbaldehyde?
The IUPAC name of 3-chloro-5-(difluoromethyl)-1-ethylpyrazole-4-carbaldehyde (CID 153366257) is 3-chloro-5-(difluoromethyl)-1-ethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3-chloro-5-(difluoromethyl)-1-ethylpyrazole-4-carbaldehyde?
The canonical SMILES for 3-chloro-5-(difluoromethyl)-1-ethylpyrazole-4-carbaldehyde is CCn1nc(Cl)c(C=O)c1C(F)F.
What is the InChIKey of 3-chloro-5-(difluoromethyl)-1-ethylpyrazole-4-carbaldehyde?
The InChIKey is XDWATQBJRALDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2O/c1-2-12-5(7(9)10)4(3-13)6(8)11-12/h3,7H,2H2,1H3.
What are the key properties of 3-chloro-5-(difluoromethyl)-1-ethylpyrazole-4-carbaldehyde?
3-chloro-5-(difluoromethyl)-1-ethylpyrazole-4-carbaldehyde has a molecular weight of 208.59 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(difluoromethyl)-1-ethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 153366257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).