pyrazolo[1,5-a]pyrimidine-6-carbaldehyde

C7H5N3O — CID 50990809

IUPACpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
SMILESO=Cc1cnc2ccnn2c1
InChIInChI=1S/C7H5N3O/c11-5-6-3-8-7-1-2-9-10(7)4-6/h1-5H
InChIKeyWDKZIYWLVBVKFQ-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.54
Rot. Bonds1

About pyrazolo[1,5-a]pyrimidine-6-carbaldehyde

pyrazolo[1,5-a]pyrimidine-6-carbaldehyde (PubChem CID 50990809) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrimidine-6-carbaldehyde
PubChem CID50990809
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Namepyrazolo[1,5-a]pyrimidine-6-carbaldehyde
SMILESO=Cc1cnc2ccnn2c1
InChIInChI=1S/C7H5N3O/c11-5-6-3-8-7-1-2-9-10(7)4-6/h1-5H
InChIKeyWDKZIYWLVBVKFQ-UHFFFAOYSA-N
XLogP0.54
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.54
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

Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 1910189
Ethyl pyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 7021267
Pyrazolo(1,5-a)pyrimidine-3-carbaldehyde
CID 6485991
N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414474
2-Methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 45792526
6-Methylpyrazolo[1,5-a]pyrimidine
CID 12773553
Ethyl 6-formylpyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 46779155
6-Formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 50990808
Pyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 19883261
5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 23400189
6-Formylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50989583
2-Methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 53629150

Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
The IUPAC name of pyrazolo[1,5-a]pyrimidine-6-carbaldehyde (CID 50990809) is pyrazolo[1,5-a]pyrimidine-6-carbaldehyde.
What is the SMILES notation for pyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
The canonical SMILES for pyrazolo[1,5-a]pyrimidine-6-carbaldehyde is O=Cc1cnc2ccnn2c1.
What is the InChIKey of pyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
The InChIKey is WDKZIYWLVBVKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-5-6-3-8-7-1-2-9-10(7)4-6/h1-5H.
What are the key properties of pyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
pyrazolo[1,5-a]pyrimidine-6-carbaldehyde has a molecular weight of 147.14 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 50990809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).