7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carbaldehyde

C9H6FN3O2 — CID 88572780

IUPAC7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carbaldehyde
SMILESCC(=O)c1cc(C=O)nc2c(F)cnn12
InChIInChI=1S/C9H6FN3O2/c1-5(15)8-2-6(4-14)12-9-7(10)3-11-13(8)9/h2-4H,1H3
InChIKeyAOAZSAWGNUEYKY-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.88
Rot. Bonds2

About 7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carbaldehyde

7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carbaldehyde (PubChem CID 88572780) has the molecular formula C9H6FN3O2 and a molecular weight of 207.16 g/mol. Its IUPAC name is 7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carbaldehyde
PubChem CID88572780
Molecular FormulaC9H6FN3O2
Molecular Weight207.16 g/mol
Exact Mass207.04
IUPAC Name7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carbaldehyde
SMILESCC(=O)c1cc(C=O)nc2c(F)cnn12
InChIInChI=1S/C9H6FN3O2/c1-5(15)8-2-6(4-14)12-9-7(10)3-11-13(8)9/h2-4H,1H3
InChIKeyAOAZSAWGNUEYKY-UHFFFAOYSA-N
XLogP0.88
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Methyl 7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 68050875
7-Acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 70321794
1-(3-Fluoro-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)propan-1-one
CID 138663408
1-(2,3-Difluoropyrazolo[1,5-a]pyrimidin-5-yl)ethanone
CID 176063678
1-(3-Fluoropyrazolo[1,5-a]pyrimidin-5-yl)ethanone
CID 176063714
1-(2-Fluoropyrazolo[1,5-a]pyrimidin-5-yl)ethanone
CID 176063717
1-(2-Chloro-3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)ethanone
CID 176063720
1-(3-Fluoro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
CID 176063814
1-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]ethanone
CID 84726114
1-[7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]ethanone
CID 84726115
3-Fluoro-5-formylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 143588273
2,2-Difluoro-1-{pyrazolo[1,5-a]pyrimidin-2-yl}ethan-1-one
CID 165633933

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carbaldehyde?
The IUPAC name of 7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carbaldehyde (CID 88572780) is 7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carbaldehyde?
The canonical SMILES for 7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carbaldehyde is CC(=O)c1cc(C=O)nc2c(F)cnn12.
What is the InChIKey of 7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carbaldehyde?
The InChIKey is AOAZSAWGNUEYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O2/c1-5(15)8-2-6(4-14)12-9-7(10)3-11-13(8)9/h2-4H,1H3.
What are the key properties of 7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carbaldehyde?
7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carbaldehyde has a molecular weight of 207.16 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-3-fluoropyrazolo[1,5-a]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 88572780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).