5-chloro-1-(3,4-dichlorophenyl)-3-propylpyrazole-4-carbaldehyde

C13H11Cl3N2O — CID 43328175

IUPAC5-chloro-1-(3,4-dichlorophenyl)-3-propylpyrazole-4-carbaldehyde
SMILESCCCc1nn(-c2ccc(Cl)c(Cl)c2)c(Cl)c1C=O
InChIInChI=1S/C13H11Cl3N2O/c1-2-3-12-9(7-19)13(16)18(17-12)8-4-5-10(14)11(15)6-8/h4-7H,2-3H2,1H3
InChIKeyUELXFULJTCXXAZ-UHFFFAOYSA-N
MW317.60 g/mol
LogP4.60
Rot. Bonds4

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

5-chloro-1-(3,4-dichlorophenyl)-3-propylpyrazole-4-carbaldehyde (PubChem CID 43328175) has the molecular formula C13H11Cl3N2O and a molecular weight of 317.60 g/mol. Its IUPAC name is 5-chloro-1-(3,4-dichlorophenyl)-3-propylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-(3,4-dichlorophenyl)-3-propylpyrazole-4-carbaldehyde
PubChem CID43328175
Molecular FormulaC13H11Cl3N2O
Molecular Weight317.60 g/mol
Exact Mass315.99
IUPAC Name5-chloro-1-(3,4-dichlorophenyl)-3-propylpyrazole-4-carbaldehyde
SMILESCCCc1nn(-c2ccc(Cl)c(Cl)c2)c(Cl)c1C=O
InChIInChI=1S/C13H11Cl3N2O/c1-2-3-12-9(7-19)13(16)18(17-12)8-4-5-10(14)11(15)6-8/h4-7H,2-3H2,1H3
InChIKeyUELXFULJTCXXAZ-UHFFFAOYSA-N
XLogP4.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.60
LogP ≤ 54.60
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-(3,4-dichlorophenyl)-3-propylpyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-1-(3,4-dichlorophenyl)-3-propylpyrazole-4-carbaldehyde (CID 43328175) is 5-chloro-1-(3,4-dichlorophenyl)-3-propylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-1-(3,4-dichlorophenyl)-3-propylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-1-(3,4-dichlorophenyl)-3-propylpyrazole-4-carbaldehyde is CCCc1nn(-c2ccc(Cl)c(Cl)c2)c(Cl)c1C=O.
What is the InChIKey of 5-chloro-1-(3,4-dichlorophenyl)-3-propylpyrazole-4-carbaldehyde?
The InChIKey is UELXFULJTCXXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O/c1-2-3-12-9(7-19)13(16)18(17-12)8-4-5-10(14)11(15)6-8/h4-7H,2-3H2,1H3.
What are the key properties of 5-chloro-1-(3,4-dichlorophenyl)-3-propylpyrazole-4-carbaldehyde?
5-chloro-1-(3,4-dichlorophenyl)-3-propylpyrazole-4-carbaldehyde has a molecular weight of 317.60 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(3,4-dichlorophenyl)-3-propylpyrazole-4-carbaldehyde is sourced from PubChem (CID 43328175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).