5-chloro-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde

C10H10ClF3N2O — CID 61265129

IUPAC5-chloro-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)nn(C2CCCC2)c1Cl
InChIInChI=1S/C10H10ClF3N2O/c11-9-7(5-17)8(10(12,13)14)15-16(9)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyKRIFIJXQUIYQOP-UHFFFAOYSA-N
MW266.65 g/mol
LogP3.48
Rot. Bonds2

About 5-chloro-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde

5-chloro-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde (PubChem CID 61265129) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is 5-chloro-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
PubChem CID61265129
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC Name5-chloro-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)nn(C2CCCC2)c1Cl
InChIInChI=1S/C10H10ClF3N2O/c11-9-7(5-17)8(10(12,13)14)15-16(9)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyKRIFIJXQUIYQOP-UHFFFAOYSA-N
XLogP3.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 53.48
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-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CID 1478459
5-chloro-N,N,1-trimethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 4329180
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-chloro-3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carbaldehyde
CID 126995133
5-chloro-1-(2-chloroethyl)-3-methyl-1H-pyrazole-4-carbaldehyde
CID 145867134
1-tert-butyl-5-chloro-3-trifluoromethyl-1H-pyrazole-4-carboaldehyde
CID 17862922
5-Chloro-1-ethyl-3-(trifluoromethyl)pyrazol-4-carboxamide
CID 19080724
5-Chloro-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxaldehyde
CID 19080746
5-Chloro-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde
CID 19754692
5-Chloro-3-methyl-1-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 22562096

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde (CID 61265129) is 5-chloro-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde is O=Cc1c(C(F)(F)F)nn(C2CCCC2)c1Cl.
What is the InChIKey of 5-chloro-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde?
The InChIKey is KRIFIJXQUIYQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c11-9-7(5-17)8(10(12,13)14)15-16(9)6-3-1-2-4-6/h5-6H,1-4H2.
What are the key properties of 5-chloro-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde?
5-chloro-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde has a molecular weight of 266.65 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 61265129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).