5-chloro-1-(2,4-difluorophenyl)-3-propylpyrazole-4-carbaldehyde

C13H11ClF2N2O — CID 43145574

IUPAC5-chloro-1-(2,4-difluorophenyl)-3-propylpyrazole-4-carbaldehyde
SMILESCCCc1nn(-c2ccc(F)cc2F)c(Cl)c1C=O
InChIInChI=1S/C13H11ClF2N2O/c1-2-3-11-9(7-19)13(14)18(17-11)12-5-4-8(15)6-10(12)16/h4-7H,2-3H2,1H3
InChIKeyATYHCEDOQZIURG-UHFFFAOYSA-N
MW284.69 g/mol
LogP3.57
Rot. Bonds4

About 5-chloro-1-(2,4-difluorophenyl)-3-propylpyrazole-4-carbaldehyde

5-chloro-1-(2,4-difluorophenyl)-3-propylpyrazole-4-carbaldehyde (PubChem CID 43145574) has the molecular formula C13H11ClF2N2O and a molecular weight of 284.69 g/mol. Its IUPAC name is 5-chloro-1-(2,4-difluorophenyl)-3-propylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-(2,4-difluorophenyl)-3-propylpyrazole-4-carbaldehyde
PubChem CID43145574
Molecular FormulaC13H11ClF2N2O
Molecular Weight284.69 g/mol
Exact Mass284.05
IUPAC Name5-chloro-1-(2,4-difluorophenyl)-3-propylpyrazole-4-carbaldehyde
SMILESCCCc1nn(-c2ccc(F)cc2F)c(Cl)c1C=O
InChIInChI=1S/C13H11ClF2N2O/c1-2-3-11-9(7-19)13(14)18(17-11)12-5-4-8(15)6-10(12)16/h4-7H,2-3H2,1H3
InChIKeyATYHCEDOQZIURG-UHFFFAOYSA-N
XLogP3.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2,4-difluorophenyl)-3-propylpyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-1-(2,4-difluorophenyl)-3-propylpyrazole-4-carbaldehyde (CID 43145574) is 5-chloro-1-(2,4-difluorophenyl)-3-propylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-1-(2,4-difluorophenyl)-3-propylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-1-(2,4-difluorophenyl)-3-propylpyrazole-4-carbaldehyde is CCCc1nn(-c2ccc(F)cc2F)c(Cl)c1C=O.
What is the InChIKey of 5-chloro-1-(2,4-difluorophenyl)-3-propylpyrazole-4-carbaldehyde?
The InChIKey is ATYHCEDOQZIURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O/c1-2-3-11-9(7-19)13(14)18(17-11)12-5-4-8(15)6-10(12)16/h4-7H,2-3H2,1H3.
What are the key properties of 5-chloro-1-(2,4-difluorophenyl)-3-propylpyrazole-4-carbaldehyde?
5-chloro-1-(2,4-difluorophenyl)-3-propylpyrazole-4-carbaldehyde has a molecular weight of 284.69 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2,4-difluorophenyl)-3-propylpyrazole-4-carbaldehyde is sourced from PubChem (CID 43145574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).