3-fluoro-1-methylpyrazole-5-carbaldehyde

C5H5FN2O — CID 84647991

IUPAC3-fluoro-1-methylpyrazole-5-carbaldehyde
SMILESCn1nc(F)cc1C=O
InChIInChI=1S/C5H5FN2O/c1-8-4(3-9)2-5(6)7-8/h2-3H,1H3
InChIKeyRSFPOQWURYRTMO-UHFFFAOYSA-N
MW128.11 g/mol
LogP0.37
Rot. Bonds1

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

3-fluoro-1-methylpyrazole-5-carbaldehyde (PubChem CID 84647991) has the molecular formula C5H5FN2O and a molecular weight of 128.11 g/mol. Its IUPAC name is 3-fluoro-1-methylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name3-fluoro-1-methylpyrazole-5-carbaldehyde
PubChem CID84647991
Molecular FormulaC5H5FN2O
Molecular Weight128.11 g/mol
Exact Mass128.04
IUPAC Name3-fluoro-1-methylpyrazole-5-carbaldehyde
SMILESCn1nc(F)cc1C=O
InChIInChI=1S/C5H5FN2O/c1-8-4(3-9)2-5(6)7-8/h2-3H,1H3
InChIKeyRSFPOQWURYRTMO-UHFFFAOYSA-N
XLogP0.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.11
LogP ≤ 50.37
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

1,5-dimethyl-1H-pyrazole-3-carbaldehyde
CID 7017101
1-Methyl-1H-pyrazole-3-carboxaldehyde
CID 7026090
1,3-dimethyl-1H-pyrazole-5-carbaldehyde
CID 2776362
1-methyl-1H-pyrazole-5-carbaldehyde
CID 7019414
5-chloro-1-methyl-1H-pyrazole-3-carbaldehyde
CID 84716297
3-Chloro-1-methyl-1H-pyrazole-5-carbaldehyde
CID 17794478
1-ethyl-1H-pyrazole-5-carbaldehyde
CID 7009534
1-ethyl-1H-pyrazole-3-carbaldehyde
CID 7019415
1-propyl-1H-pyrazole-3-carbaldehyde
CID 19576905
1-propyl-1H-pyrazole-5-carbaldehyde
CID 19620903
1-(propan-2-yl)-1H-pyrazole-5-carbaldehyde
CID 28924752
1-(butan-2-yl)-1H-pyrazole-5-carbaldehyde
CID 45923688

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methylpyrazole-5-carbaldehyde?
The IUPAC name of 3-fluoro-1-methylpyrazole-5-carbaldehyde (CID 84647991) is 3-fluoro-1-methylpyrazole-5-carbaldehyde.
What is the SMILES notation for 3-fluoro-1-methylpyrazole-5-carbaldehyde?
The canonical SMILES for 3-fluoro-1-methylpyrazole-5-carbaldehyde is Cn1nc(F)cc1C=O.
What is the InChIKey of 3-fluoro-1-methylpyrazole-5-carbaldehyde?
The InChIKey is RSFPOQWURYRTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O/c1-8-4(3-9)2-5(6)7-8/h2-3H,1H3.
What are the key properties of 3-fluoro-1-methylpyrazole-5-carbaldehyde?
3-fluoro-1-methylpyrazole-5-carbaldehyde has a molecular weight of 128.11 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methylpyrazole-5-carbaldehyde is sourced from PubChem (CID 84647991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).