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

C14H12FN3O — CID 87181523

IUPAC5-(5-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(-n2ccc3cc(F)ccc32)c1C=O
InChIInChI=1S/C14H12FN3O/c1-9-12(8-19)14(17(2)16-9)18-6-5-10-7-11(15)3-4-13(10)18/h3-8H,1-2H3
InChIKeyXGTYJNQIKQSCFT-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.62
Rot. Bonds2

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

5-(5-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde (PubChem CID 87181523) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 5-(5-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(5-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
PubChem CID87181523
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name5-(5-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(-n2ccc3cc(F)ccc32)c1C=O
InChIInChI=1S/C14H12FN3O/c1-9-12(8-19)14(17(2)16-9)18-6-5-10-7-11(15)3-4-13(10)18/h3-8H,1-2H3
InChIKeyXGTYJNQIKQSCFT-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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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorophenyl)-3-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
CID 16022036
N-benzyl-N-ethyl-1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
CID 16021916
5-Imidazol-1-yl-3-methyl-1-phenyl-pyrazole-4-carbaldehyde
CID 11207482
1-(4-Fluorophenyl)-3-methyl-5-(1H-pyrrol-1-YL)-N-(2,4,6-trimethylphenyl)-1H-pyrazole-4-carboxamide
CID 16022030
1-(4-Fluorophenyl)-3-methyl-5-(1H-pyrrol-1-YL)-N-(2,4,6-trimethylphenyl)-1H-pyrazole-4-carboxamide
CID 16022030
N-benzyl-1-(4-fluorophenyl)-N,3-dimethyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
CID 20915561
1-[1-(4-Fluorophenyl)-3-methyl-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-carbonyl]piperidine
CID 20915571
2,3-Dihydroindol-1-yl-[1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20936882
3-Methyl-5-(4-methylimidazol-1-yl)-1-phenyl-pyrazole-4-carbaldehyde
CID 90682842
3-Methyl-5-(4-methylimidazol-1-yl)-1-phenyl-pyrazole-4-carbaldehyde
CID 90682842
2,3-Dihydro-1H-indol-1-YL[3-methyl-1-(3-methylphenyl)-5-(1H-pyrrol-1-YL)-1H-pyrazol-4-YL]methanone
CID 20936622
2,3-Dihydro-1H-indol-1-YL[3-methyl-1-(3-methylphenyl)-5-(1H-pyrrol-1-YL)-1H-pyrazol-4-YL]methanone
CID 20936622

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-(5-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde (CID 87181523) is 5-(5-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(5-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-(5-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde is Cc1nn(C)c(-n2ccc3cc(F)ccc32)c1C=O.
What is the InChIKey of 5-(5-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The InChIKey is XGTYJNQIKQSCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-9-12(8-19)14(17(2)16-9)18-6-5-10-7-11(15)3-4-13(10)18/h3-8H,1-2H3.
What are the key properties of 5-(5-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
5-(5-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-(5-fluoroindol-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 87181523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).