5-(5-fluoroindol-1-yl)-1-methyl-3-propylpyrazole-4-carbaldehyde

C16H16FN3O — CID 141216187

IUPAC5-(5-fluoroindol-1-yl)-1-methyl-3-propylpyrazole-4-carbaldehyde
SMILESCCCc1nn(C)c(-n2ccc3cc(F)ccc32)c1C=O
InChIInChI=1S/C16H16FN3O/c1-3-4-14-13(10-21)16(19(2)18-14)20-8-7-11-9-12(17)5-6-15(11)20/h5-10H,3-4H2,1-2H3
InChIKeyDKAYAWKHGGAIMK-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.27
Rot. Bonds4

About 5-(5-fluoroindol-1-yl)-1-methyl-3-propylpyrazole-4-carbaldehyde

5-(5-fluoroindol-1-yl)-1-methyl-3-propylpyrazole-4-carbaldehyde (PubChem CID 141216187) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-(5-fluoroindol-1-yl)-1-methyl-3-propylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(5-fluoroindol-1-yl)-1-methyl-3-propylpyrazole-4-carbaldehyde
PubChem CID141216187
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name5-(5-fluoroindol-1-yl)-1-methyl-3-propylpyrazole-4-carbaldehyde
SMILESCCCc1nn(C)c(-n2ccc3cc(F)ccc32)c1C=O
InChIInChI=1S/C16H16FN3O/c1-3-4-14-13(10-21)16(19(2)18-14)20-8-7-11-9-12(17)5-6-15(11)20/h5-10H,3-4H2,1-2H3
InChIKeyDKAYAWKHGGAIMK-UHFFFAOYSA-N
XLogP3.27
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.27
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-(5-fluoroindol-1-yl)-1-methyl-3-propylpyrazole-4-carbaldehyde?
The IUPAC name of 5-(5-fluoroindol-1-yl)-1-methyl-3-propylpyrazole-4-carbaldehyde (CID 141216187) is 5-(5-fluoroindol-1-yl)-1-methyl-3-propylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(5-fluoroindol-1-yl)-1-methyl-3-propylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-(5-fluoroindol-1-yl)-1-methyl-3-propylpyrazole-4-carbaldehyde is CCCc1nn(C)c(-n2ccc3cc(F)ccc32)c1C=O.
What is the InChIKey of 5-(5-fluoroindol-1-yl)-1-methyl-3-propylpyrazole-4-carbaldehyde?
The InChIKey is DKAYAWKHGGAIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-3-4-14-13(10-21)16(19(2)18-14)20-8-7-11-9-12(17)5-6-15(11)20/h5-10H,3-4H2,1-2H3.
What are the key properties of 5-(5-fluoroindol-1-yl)-1-methyl-3-propylpyrazole-4-carbaldehyde?
5-(5-fluoroindol-1-yl)-1-methyl-3-propylpyrazole-4-carbaldehyde has a molecular weight of 285.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoroindol-1-yl)-1-methyl-3-propylpyrazole-4-carbaldehyde is sourced from PubChem (CID 141216187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).