3-(5-chlorothiophen-3-yl)-1-(3-fluorophenyl)pyrazole-4-carbaldehyde

C14H8ClFN2OS — CID 106758479

IUPAC3-(5-chlorothiophen-3-yl)-1-(3-fluorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2cccc(F)c2)nc1-c1csc(Cl)c1
InChIInChI=1S/C14H8ClFN2OS/c15-13-4-9(8-20-13)14-10(7-19)6-18(17-14)12-3-1-2-11(16)5-12/h1-8H
InChIKeyZDRCNFPMZNSXFP-UHFFFAOYSA-N
MW306.75 g/mol
LogP4.21
Rot. Bonds3

About 3-(5-chlorothiophen-3-yl)-1-(3-fluorophenyl)pyrazole-4-carbaldehyde

3-(5-chlorothiophen-3-yl)-1-(3-fluorophenyl)pyrazole-4-carbaldehyde (PubChem CID 106758479) has the molecular formula C14H8ClFN2OS and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-(5-chlorothiophen-3-yl)-1-(3-fluorophenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(5-chlorothiophen-3-yl)-1-(3-fluorophenyl)pyrazole-4-carbaldehyde
PubChem CID106758479
Molecular FormulaC14H8ClFN2OS
Molecular Weight306.75 g/mol
Exact Mass306.00
IUPAC Name3-(5-chlorothiophen-3-yl)-1-(3-fluorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2cccc(F)c2)nc1-c1csc(Cl)c1
InChIInChI=1S/C14H8ClFN2OS/c15-13-4-9(8-20-13)14-10(7-19)6-18(17-14)12-3-1-2-11(16)5-12/h1-8H
InChIKeyZDRCNFPMZNSXFP-UHFFFAOYSA-N
XLogP4.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-chlorothiophen-3-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde
CID 106758401
3-(5-chlorothiophen-3-yl)-1-(2,4-dimethylphenyl)pyrazole-4-carbaldehyde
CID 106758411
1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde
CID 64593870
1-(3-fluorophenyl)-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde
CID 114798221
1-benzyl-3-(5-chlorothiophen-3-yl)pyrazole-4-carbaldehyde
CID 106758395
3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde
CID 107354799
3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 11069064
1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde
CID 43542676
1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde
CID 43324156
3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde
CID 43324252
3-(4-bromothiophen-3-yl)-1-(4-chloro-3-fluorophenyl)pyrazole-4-carbaldehyde
CID 106758537
3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 43324124

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-3-yl)-1-(3-fluorophenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 3-(5-chlorothiophen-3-yl)-1-(3-fluorophenyl)pyrazole-4-carbaldehyde (CID 106758479) is 3-(5-chlorothiophen-3-yl)-1-(3-fluorophenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(5-chlorothiophen-3-yl)-1-(3-fluorophenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 3-(5-chlorothiophen-3-yl)-1-(3-fluorophenyl)pyrazole-4-carbaldehyde is O=Cc1cn(-c2cccc(F)c2)nc1-c1csc(Cl)c1.
What is the InChIKey of 3-(5-chlorothiophen-3-yl)-1-(3-fluorophenyl)pyrazole-4-carbaldehyde?
The InChIKey is ZDRCNFPMZNSXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2OS/c15-13-4-9(8-20-13)14-10(7-19)6-18(17-14)12-3-1-2-11(16)5-12/h1-8H.
What are the key properties of 3-(5-chlorothiophen-3-yl)-1-(3-fluorophenyl)pyrazole-4-carbaldehyde?
3-(5-chlorothiophen-3-yl)-1-(3-fluorophenyl)pyrazole-4-carbaldehyde has a molecular weight of 306.75 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-3-yl)-1-(3-fluorophenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 106758479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).