3-thiophen-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-4-carbaldehyde

C14H7F3N2OS — CID 79204445

IUPAC3-thiophen-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2cc(F)c(F)c(F)c2)nc1-c1cccs1
InChIInChI=1S/C14H7F3N2OS/c15-10-4-9(5-11(16)13(10)17)19-6-8(7-20)14(18-19)12-2-1-3-21-12/h1-7H
InChIKeyXVIKCEJEKYJKGD-UHFFFAOYSA-N
MW308.28 g/mol
LogP3.83
Rot. Bonds3

About 3-thiophen-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-4-carbaldehyde

3-thiophen-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-4-carbaldehyde (PubChem CID 79204445) has the molecular formula C14H7F3N2OS and a molecular weight of 308.28 g/mol. Its IUPAC name is 3-thiophen-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-thiophen-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-4-carbaldehyde
PubChem CID79204445
Molecular FormulaC14H7F3N2OS
Molecular Weight308.28 g/mol
Exact Mass308.02
IUPAC Name3-thiophen-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2cc(F)c(F)c(F)c2)nc1-c1cccs1
InChIInChI=1S/C14H7F3N2OS/c15-10-4-9(5-11(16)13(10)17)19-6-8(7-20)14(18-19)12-2-1-3-21-12/h1-7H
InChIKeyXVIKCEJEKYJKGD-UHFFFAOYSA-N
XLogP3.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde
CID 38997103
1-(4-ethoxyphenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde
CID 107958363
3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
CID 107354801
2-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)acetonitrile
CID 121213551
3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde
CID 43324252
N-[(Z)-3-(methylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide
CID 34316525
4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 6180975
1-(3-fluorophenyl)-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde
CID 114798221
1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 43324186
3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde
CID 107354799
methyl 2-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)acetate
CID 121213555
1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazol-4-amine
CID 83223052

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 3-thiophen-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-4-carbaldehyde (CID 79204445) is 3-thiophen-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-thiophen-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 3-thiophen-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-4-carbaldehyde is O=Cc1cn(-c2cc(F)c(F)c(F)c2)nc1-c1cccs1.
What is the InChIKey of 3-thiophen-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-4-carbaldehyde?
The InChIKey is XVIKCEJEKYJKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2OS/c15-10-4-9(5-11(16)13(10)17)19-6-8(7-20)14(18-19)12-2-1-3-21-12/h1-7H.
What are the key properties of 3-thiophen-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-4-carbaldehyde?
3-thiophen-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-4-carbaldehyde has a molecular weight of 308.28 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 79204445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).