4-chloro-3-(4-fluorophenyl)-1H-pyrazole-5-carbaldehyde

C10H6ClFN2O — CID 83911072

IUPAC4-chloro-3-(4-fluorophenyl)-1H-pyrazole-5-carbaldehyde
SMILESO=Cc1[nH]nc(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C10H6ClFN2O/c11-9-8(5-15)13-14-10(9)6-1-3-7(12)4-2-6/h1-5H,(H,13,14)
InChIKeyMKIUMDIHTSCPGL-UHFFFAOYSA-N
MW224.62 g/mol
LogP2.68
Rot. Bonds2

About 4-chloro-3-(4-fluorophenyl)-1H-pyrazole-5-carbaldehyde

4-chloro-3-(4-fluorophenyl)-1H-pyrazole-5-carbaldehyde (PubChem CID 83911072) has the molecular formula C10H6ClFN2O and a molecular weight of 224.62 g/mol. Its IUPAC name is 4-chloro-3-(4-fluorophenyl)-1H-pyrazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-3-(4-fluorophenyl)-1H-pyrazole-5-carbaldehyde
PubChem CID83911072
Molecular FormulaC10H6ClFN2O
Molecular Weight224.62 g/mol
Exact Mass224.02
IUPAC Name4-chloro-3-(4-fluorophenyl)-1H-pyrazole-5-carbaldehyde
SMILESO=Cc1[nH]nc(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C10H6ClFN2O/c11-9-8(5-15)13-14-10(9)6-1-3-7(12)4-2-6/h1-5H,(H,13,14)
InChIKeyMKIUMDIHTSCPGL-UHFFFAOYSA-N
XLogP2.68
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.62
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde
CID 83912637
4-chloro-3-(4-methoxyphenyl)-1H-pyrazole-5-carbaldehyde
CID 83912160
4-chloro-3-(3-hydroxyphenyl)-1H-pyrazole-5-carbaldehyde
CID 84687952
5-bromo-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde
CID 83913544
4-chloro-3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbaldehyde
CID 83911949
4-chloro-5-fluoro-3-phenyl-1H-pyridazin-6-one
CID 88667827
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
4-fluoro-2-(4-fluorophenyl)pyridine-3-carbaldehyde
CID 118993010
2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde
CID 141264247
3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole
CID 19587640
3-chloro-2,6-bis(4-fluorophenyl)pyridine
CID 46313516
4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 13303408

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-fluorophenyl)-1H-pyrazole-5-carbaldehyde?
The IUPAC name of 4-chloro-3-(4-fluorophenyl)-1H-pyrazole-5-carbaldehyde (CID 83911072) is 4-chloro-3-(4-fluorophenyl)-1H-pyrazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-3-(4-fluorophenyl)-1H-pyrazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-3-(4-fluorophenyl)-1H-pyrazole-5-carbaldehyde is O=Cc1[nH]nc(-c2ccc(F)cc2)c1Cl.
What is the InChIKey of 4-chloro-3-(4-fluorophenyl)-1H-pyrazole-5-carbaldehyde?
The InChIKey is MKIUMDIHTSCPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O/c11-9-8(5-15)13-14-10(9)6-1-3-7(12)4-2-6/h1-5H,(H,13,14).
What are the key properties of 4-chloro-3-(4-fluorophenyl)-1H-pyrazole-5-carbaldehyde?
4-chloro-3-(4-fluorophenyl)-1H-pyrazole-5-carbaldehyde has a molecular weight of 224.62 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-fluorophenyl)-1H-pyrazole-5-carbaldehyde is sourced from PubChem (CID 83911072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).