5-(6-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde

C14H12FN3O — CID 87181981

IUPAC5-(6-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(-n2ccc3ccc(F)cc32)c1C=O
InChIInChI=1S/C14H12FN3O/c1-9-12(8-19)14(17(2)16-9)18-6-5-10-3-4-11(15)7-13(10)18/h3-8H,1-2H3
InChIKeyFSZYREHRXNEURF-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.62
Rot. Bonds2

About 5-(6-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde

5-(6-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde (PubChem CID 87181981) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 5-(6-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(6-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
PubChem CID87181981
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name5-(6-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(-n2ccc3ccc(F)cc32)c1C=O
InChIInChI=1S/C14H12FN3O/c1-9-12(8-19)14(17(2)16-9)18-6-5-10-3-4-11(15)7-13(10)18/h3-8H,1-2H3
InChIKeyFSZYREHRXNEURF-UHFFFAOYSA-N
XLogP2.62
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-(6-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde (CID 87181981) is 5-(6-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(6-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-(6-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde is Cc1nn(C)c(-n2ccc3ccc(F)cc32)c1C=O.
What is the InChIKey of 5-(6-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The InChIKey is FSZYREHRXNEURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-9-12(8-19)14(17(2)16-9)18-6-5-10-3-4-11(15)7-13(10)18/h3-8H,1-2H3.
What are the key properties of 5-(6-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
5-(6-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde has a molecular weight of 257.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 87181981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).