4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde

C6H4ClF3N2O — CID 14928275

IUPAC4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde
SMILESCn1nc(C(F)(F)F)c(Cl)c1C=O
InChIInChI=1S/C6H4ClF3N2O/c1-12-3(2-13)4(7)5(11-12)6(8,9)10/h2H,1H3
InChIKeyOXNUFMVQQCGBPK-UHFFFAOYSA-N
MW212.56 g/mol
LogP1.90
Rot. Bonds1

About 4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde

4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde (PubChem CID 14928275) has the molecular formula C6H4ClF3N2O and a molecular weight of 212.56 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde
PubChem CID14928275
Molecular FormulaC6H4ClF3N2O
Molecular Weight212.56 g/mol
Exact Mass212.00
IUPAC Name4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde
SMILESCn1nc(C(F)(F)F)c(Cl)c1C=O
InChIInChI=1S/C6H4ClF3N2O/c1-12-3(2-13)4(7)5(11-12)6(8,9)10/h2H,1H3
InChIKeyOXNUFMVQQCGBPK-UHFFFAOYSA-N
XLogP1.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.56
LogP ≤ 51.90
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

4-chloro-1,3-dimethyl-1H-pyrazole-5-carbaldehyde
CID 50896588
1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbaldehyde
CID 57440995
4-Chloro-1,5-dimethyl-1H-pyrazole-3-carboxaldehyde
CID 82415716
4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carbaldehyde
CID 83905991
3-tert-butyl-4-chloro-1-methyl-1H-pyrazole-5-carbaldehyde
CID 83908379
5-(difluoromethyl)-1-methyl-1H-pyrazole-3-carbaldehyde
CID 84650998
4-iodo-1,3-dimethyl-1H-pyrazole-5-carbaldehyde
CID 86762276
4-Chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl chloride
CID 14995820
4-Chloro-1-ethyl-3-methylpyrazole-5-carbonyl chloride
CID 139236855
4-chloro-N,N-diethyl-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4772700
1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl chloride
CID 14770607
4-Chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride
CID 14836867

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde?
The IUPAC name of 4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde (CID 14928275) is 4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde.
What is the SMILES notation for 4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde?
The canonical SMILES for 4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde is Cn1nc(C(F)(F)F)c(Cl)c1C=O.
What is the InChIKey of 4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde?
The InChIKey is OXNUFMVQQCGBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2O/c1-12-3(2-13)4(7)5(11-12)6(8,9)10/h2H,1H3.
What are the key properties of 4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde?
4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde has a molecular weight of 212.56 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde is sourced from PubChem (CID 14928275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).