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

C6H5ClF2N2O — CID 19754692

IUPAC5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde
SMILESCn1nc(C(F)F)c(C=O)c1Cl
InChIInChI=1S/C6H5ClF2N2O/c1-11-5(7)3(2-12)4(10-11)6(8)9/h2,6H,1H3
InChIKeyNMYPMEAFQUDCSC-UHFFFAOYSA-N
MW194.57 g/mol
LogP1.82
Rot. Bonds2

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

5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde (PubChem CID 19754692) has the molecular formula C6H5ClF2N2O and a molecular weight of 194.57 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde
PubChem CID19754692
Molecular FormulaC6H5ClF2N2O
Molecular Weight194.57 g/mol
Exact Mass194.01
IUPAC Name5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde
SMILESCn1nc(C(F)F)c(C=O)c1Cl
InChIInChI=1S/C6H5ClF2N2O/c1-11-5(7)3(2-12)4(10-11)6(8)9/h2,6H,1H3
InChIKeyNMYPMEAFQUDCSC-UHFFFAOYSA-N
XLogP1.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.57
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde
CID 2777397
5-chloro-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 1474979
5-Chloro-1,3-dimethyl-1h-pyrazole-4-carbonyl chloride
CID 11745492
5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CID 1478459
3-(Difluoromethyl)-5-fluoro-1-methyl-1H-pyrazole-4-carbonyl fluoride
CID 58526622
5-chloro-N,N,1-trimethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 4329180
5-Chloro-3-ethyl-1-methyl-1h-pyrazole-4-carbaldehyde
CID 2757508
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-Fluoro-1,3-dimethyl-1H-pyrazole-4-carbonyl fluoride
CID 10855763
5-fluoro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CID 18975489
5-chloro-3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carbaldehyde
CID 126995133

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde (CID 19754692) is 5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde is Cn1nc(C(F)F)c(C=O)c1Cl.
What is the InChIKey of 5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde?
The InChIKey is NMYPMEAFQUDCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O/c1-11-5(7)3(2-12)4(10-11)6(8)9/h2,6H,1H3.
What are the key properties of 5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde?
5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde has a molecular weight of 194.57 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde is sourced from PubChem (CID 19754692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).