4-(4-chloropyrazol-1-yl)-3,5-difluorobenzaldehyde

C10H5ClF2N2O — CID 63052255

IUPAC4-(4-chloropyrazol-1-yl)-3,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)c(-n2cc(Cl)cn2)c(F)c1
InChIInChI=1S/C10H5ClF2N2O/c11-7-3-14-15(4-7)10-8(12)1-6(5-16)2-9(10)13/h1-5H
InChIKeyFWGJKXBZHXMUOA-UHFFFAOYSA-N
MW242.61 g/mol
LogP2.62
Rot. Bonds2

About 4-(4-chloropyrazol-1-yl)-3,5-difluorobenzaldehyde

4-(4-chloropyrazol-1-yl)-3,5-difluorobenzaldehyde (PubChem CID 63052255) has the molecular formula C10H5ClF2N2O and a molecular weight of 242.61 g/mol. Its IUPAC name is 4-(4-chloropyrazol-1-yl)-3,5-difluorobenzaldehyde.

Molecular Properties

Compound Name4-(4-chloropyrazol-1-yl)-3,5-difluorobenzaldehyde
PubChem CID63052255
Molecular FormulaC10H5ClF2N2O
Molecular Weight242.61 g/mol
Exact Mass242.01
IUPAC Name4-(4-chloropyrazol-1-yl)-3,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)c(-n2cc(Cl)cn2)c(F)c1
InChIInChI=1S/C10H5ClF2N2O/c11-7-3-14-15(4-7)10-8(12)1-6(5-16)2-9(10)13/h1-5H
InChIKeyFWGJKXBZHXMUOA-UHFFFAOYSA-N
XLogP2.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.61
LogP ≤ 52.62
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 4-(4-chloropyrazol-1-yl)-3,5-difluorobenzaldehyde?
The IUPAC name of 4-(4-chloropyrazol-1-yl)-3,5-difluorobenzaldehyde (CID 63052255) is 4-(4-chloropyrazol-1-yl)-3,5-difluorobenzaldehyde.
What is the SMILES notation for 4-(4-chloropyrazol-1-yl)-3,5-difluorobenzaldehyde?
The canonical SMILES for 4-(4-chloropyrazol-1-yl)-3,5-difluorobenzaldehyde is O=Cc1cc(F)c(-n2cc(Cl)cn2)c(F)c1.
What is the InChIKey of 4-(4-chloropyrazol-1-yl)-3,5-difluorobenzaldehyde?
The InChIKey is FWGJKXBZHXMUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF2N2O/c11-7-3-14-15(4-7)10-8(12)1-6(5-16)2-9(10)13/h1-5H.
What are the key properties of 4-(4-chloropyrazol-1-yl)-3,5-difluorobenzaldehyde?
4-(4-chloropyrazol-1-yl)-3,5-difluorobenzaldehyde has a molecular weight of 242.61 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloropyrazol-1-yl)-3,5-difluorobenzaldehyde is sourced from PubChem (CID 63052255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).