5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde

C9H11N3O2 — CID 82402181

IUPAC5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde
SMILESCC(=O)N1CCn2nc(C=O)cc2C1
InChIInChI=1S/C9H11N3O2/c1-7(14)11-2-3-12-9(5-11)4-8(6-13)10-12/h4,6H,2-3,5H2,1H3
InChIKeyQFXIMLJGUYGMPF-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.06
Rot. Bonds1

About 5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde

5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde (PubChem CID 82402181) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde
PubChem CID82402181
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde
SMILESCC(=O)N1CCn2nc(C=O)cc2C1
InChIInChI=1S/C9H11N3O2/c1-7(14)11-2-3-12-9(5-11)4-8(6-13)10-12/h4,6H,2-3,5H2,1H3
InChIKeyQFXIMLJGUYGMPF-UHFFFAOYSA-N
XLogP0.06
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.06
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

(5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-ethyl-oxoazanium
CID 123146193
7-acetyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carbaldehyde
CID 82401397
5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carbaldehyde
CID 11286491
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde
CID 11845421
1-[2-[(2S)-2-(2-methylphenyl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 95122769
1-[2-[(3R)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 95208357
1-[2-[(3S)-3-hydroxypiperidine-1-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 95208356
5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbaldehyde
CID 126717669
5-acetyl-N-[3-(2,5-dimethylanilino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50971960
1-[2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 95147098
1-[2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 95147099
S-tert-butyl 2-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbothioate
CID 88932091

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde?
The IUPAC name of 5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde (CID 82402181) is 5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde.
What is the SMILES notation for 5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde?
The canonical SMILES for 5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde is CC(=O)N1CCn2nc(C=O)cc2C1.
What is the InChIKey of 5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde?
The InChIKey is QFXIMLJGUYGMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-7(14)11-2-3-12-9(5-11)4-8(6-13)10-12/h4,6H,2-3,5H2,1H3.
What are the key properties of 5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde?
5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde has a molecular weight of 193.21 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde is sourced from PubChem (CID 82402181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).