5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde

C16H11F3N2O2 — CID 169334122

IUPAC5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
SMILESCc1cnn(-c2ccc(C(F)(F)F)cc2-c2ccc(C=O)o2)c1
InChIInChI=1S/C16H11F3N2O2/c1-10-7-20-21(8-10)14-4-2-11(16(17,18)19)6-13(14)15-5-3-12(9-22)23-15/h2-9H,1H3
InChIKeyWNJYVGIHLXGSGZ-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.27
Rot. Bonds3

About 5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde

5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde (PubChem CID 169334122) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
PubChem CID169334122
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
SMILESCc1cnn(-c2ccc(C(F)(F)F)cc2-c2ccc(C=O)o2)c1
InChIInChI=1S/C16H11F3N2O2/c1-10-7-20-21(8-10)14-4-2-11(16(17,18)19)6-13(14)15-5-3-12(9-22)23-15/h2-9H,1H3
InChIKeyWNJYVGIHLXGSGZ-UHFFFAOYSA-N
XLogP4.27
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.27
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

5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 623670
5-[2-methylsulfanyl-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169336019
5-[2-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169335505
5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde
CID 106886507
5-[2-(2,2-difluoroethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169334678
5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde
CID 84711366
1-[4-fluoro-2-(furan-2-yl)phenyl]-4-methylpyrazole
CID 168527335
4-amino-5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329429
5-(2-fluoro-5-methylphenyl)furan-2-carbaldehyde
CID 43155826
5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde
CID 169333294
5-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde
CID 169334454
N-methyl-3-(4-methylpyrazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
CID 163393297

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde (CID 169334122) is 5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde is Cc1cnn(-c2ccc(C(F)(F)F)cc2-c2ccc(C=O)o2)c1.
What is the InChIKey of 5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
The InChIKey is WNJYVGIHLXGSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-10-7-20-21(8-10)14-4-2-11(16(17,18)19)6-13(14)15-5-3-12(9-22)23-15/h2-9H,1H3.
What are the key properties of 5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde?
5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde has a molecular weight of 320.27 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).