1-ethyl-5-fluoro-3-methylpyrazole-4-carbaldehyde

C7H9FN2O — CID 119056208

IUPAC1-ethyl-5-fluoro-3-methylpyrazole-4-carbaldehyde
SMILESCCn1nc(C)c(C=O)c1F
InChIInChI=1S/C7H9FN2O/c1-3-10-7(8)6(4-11)5(2)9-10/h4H,3H2,1-2H3
InChIKeyAIWJHMKHVJHMRP-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.16
Rot. Bonds2

About 1-ethyl-5-fluoro-3-methylpyrazole-4-carbaldehyde

1-ethyl-5-fluoro-3-methylpyrazole-4-carbaldehyde (PubChem CID 119056208) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-3-methylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-5-fluoro-3-methylpyrazole-4-carbaldehyde
PubChem CID119056208
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name1-ethyl-5-fluoro-3-methylpyrazole-4-carbaldehyde
SMILESCCn1nc(C)c(C=O)c1F
InChIInChI=1S/C7H9FN2O/c1-3-10-7(8)6(4-11)5(2)9-10/h4H,3H2,1-2H3
InChIKeyAIWJHMKHVJHMRP-UHFFFAOYSA-N
XLogP1.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde
CID 2777397
1,5-dimethyl-1H-pyrazole-4-carbaldehyde
CID 579643
1,3,5-trimethyl-1H-pyrazole-4-carboxaldehyde
CID 736515
1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CID 3157461
1-ethyl-3-methyl-1H-pyrazole-4-carbaldehyde
CID 573203
1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CID 847285
5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CID 1478459
3-(Difluoromethyl)-5-fluoro-1-methyl-1H-pyrazole-4-carbonyl fluoride
CID 58526622
3,5-Dimethyl-1-propyl-1H-pyrazole-4-carbaldehyde
CID 6486756
1-Ethyl-5-methyl-1H-pyrazole-4-carbaldehyde
CID 573204
5-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde
CID 1149978
1-butyl-5-chloro-3-methyl-1H-pyrazole-4-carbaldehyde
CID 3747293

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-3-methylpyrazole-4-carbaldehyde?
The IUPAC name of 1-ethyl-5-fluoro-3-methylpyrazole-4-carbaldehyde (CID 119056208) is 1-ethyl-5-fluoro-3-methylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-ethyl-5-fluoro-3-methylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-ethyl-5-fluoro-3-methylpyrazole-4-carbaldehyde is CCn1nc(C)c(C=O)c1F.
What is the InChIKey of 1-ethyl-5-fluoro-3-methylpyrazole-4-carbaldehyde?
The InChIKey is AIWJHMKHVJHMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-3-10-7(8)6(4-11)5(2)9-10/h4H,3H2,1-2H3.
What are the key properties of 1-ethyl-5-fluoro-3-methylpyrazole-4-carbaldehyde?
1-ethyl-5-fluoro-3-methylpyrazole-4-carbaldehyde has a molecular weight of 156.16 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-3-methylpyrazole-4-carbaldehyde is sourced from PubChem (CID 119056208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).