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

C10H11ClF2N2O — CID 62880021

IUPAC5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1c(C(F)F)nn(C2CCCC2)c1Cl
InChIInChI=1S/C10H11ClF2N2O/c11-9-7(5-16)8(10(12)13)14-15(9)6-3-1-2-4-6/h5-6,10H,1-4H2
InChIKeyZJLDYGOTUSMKEH-UHFFFAOYSA-N
MW248.66 g/mol
LogP3.40
Rot. Bonds3

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

5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbaldehyde (PubChem CID 62880021) has the molecular formula C10H11ClF2N2O and a molecular weight of 248.66 g/mol. Its IUPAC name is 5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbaldehyde
PubChem CID62880021
Molecular FormulaC10H11ClF2N2O
Molecular Weight248.66 g/mol
Exact Mass248.05
IUPAC Name5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1c(C(F)F)nn(C2CCCC2)c1Cl
InChIInChI=1S/C10H11ClF2N2O/c11-9-7(5-16)8(10(12)13)14-15(9)6-3-1-2-4-6/h5-6,10H,1-4H2
InChIKeyZJLDYGOTUSMKEH-UHFFFAOYSA-N
XLogP3.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.66
LogP ≤ 53.40
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

CID 2777397
CID 2777397
CID 1478459
CID 1478459
CID 3747293
CID 3747293
CID 5015913
CID 5015913
CID 126995133
CID 126995133
CID 145867134
CID 145867134
CID 47137888
CID 47137888
CID 17862922
CID 17862922
CID 19080724
CID 19080724
CID 19080746
CID 19080746
CID 19754692
CID 19754692
CID 22562096
CID 22562096

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbaldehyde (CID 62880021) is 5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbaldehyde is O=Cc1c(C(F)F)nn(C2CCCC2)c1Cl.
What is the InChIKey of 5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbaldehyde?
The InChIKey is ZJLDYGOTUSMKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2O/c11-9-7(5-16)8(10(12)13)14-15(9)6-3-1-2-4-6/h5-6,10H,1-4H2.
What are the key properties of 5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbaldehyde?
5-chloro-1-cyclopentyl-3-(difluoromethyl)pyrazole-4-carbaldehyde has a molecular weight of 248.66 g/mol, XLogP of 3.40, 3 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-(difluoromethyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 62880021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).