3-formylpyrazolo[1,5-a]pyrimidine-5-carbonitrile

C8H4N4O — CID 130047076

IUPAC3-formylpyrazolo[1,5-a]pyrimidine-5-carbonitrile
SMILESN#Cc1ccn2ncc(C=O)c2n1
InChIInChI=1S/C8H4N4O/c9-3-7-1-2-12-8(11-7)6(5-13)4-10-12/h1-2,4-5H
InChIKeyYTWNHQAOZJSLLD-UHFFFAOYSA-N
MW172.15 g/mol
LogP0.41
Rot. Bonds1

About 3-formylpyrazolo[1,5-a]pyrimidine-5-carbonitrile

3-formylpyrazolo[1,5-a]pyrimidine-5-carbonitrile (PubChem CID 130047076) has the molecular formula C8H4N4O and a molecular weight of 172.15 g/mol. Its IUPAC name is 3-formylpyrazolo[1,5-a]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name3-formylpyrazolo[1,5-a]pyrimidine-5-carbonitrile
PubChem CID130047076
Molecular FormulaC8H4N4O
Molecular Weight172.15 g/mol
Exact Mass172.04
IUPAC Name3-formylpyrazolo[1,5-a]pyrimidine-5-carbonitrile
SMILESN#Cc1ccn2ncc(C=O)c2n1
InChIInChI=1S/C8H4N4O/c9-3-7-1-2-12-8(11-7)6(5-13)4-10-12/h1-2,4-5H
InChIKeyYTWNHQAOZJSLLD-UHFFFAOYSA-N
XLogP0.41
TPSA71.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 50.41
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

5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 134386283
3-formylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 105435034
2-[ethyl-(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-3-[2-(methylamino)ethoxy]benzonitrile
CID 142523191
3-formylpyrazolo[1,5-a]pyridine-6-carbonitrile
CID 164558977
[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonitrile
CID 162521908
5-[2-(2,5-difluorophenyl)pyrrolidin-1-ium-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 163980859
3-formylpyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 59476245
5-formyl-6-(methylideneamino)pyridine-2-carbonitrile
CID 139520394
2-(aminomethyl)-7-[(1R)-1-[(3-formylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]-2-methyl-3H-1-benzofuran-5-carbonitrile
CID 155324370
3-formylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 25171438
5-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 175176217
N-(3-formylpyrazolo[1,5-a]pyridin-5-yl)acetamide
CID 89029718

Frequently Asked Questions

What is the IUPAC name of 3-formylpyrazolo[1,5-a]pyrimidine-5-carbonitrile?
The IUPAC name of 3-formylpyrazolo[1,5-a]pyrimidine-5-carbonitrile (CID 130047076) is 3-formylpyrazolo[1,5-a]pyrimidine-5-carbonitrile.
What is the SMILES notation for 3-formylpyrazolo[1,5-a]pyrimidine-5-carbonitrile?
The canonical SMILES for 3-formylpyrazolo[1,5-a]pyrimidine-5-carbonitrile is N#Cc1ccn2ncc(C=O)c2n1.
What is the InChIKey of 3-formylpyrazolo[1,5-a]pyrimidine-5-carbonitrile?
The InChIKey is YTWNHQAOZJSLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O/c9-3-7-1-2-12-8(11-7)6(5-13)4-10-12/h1-2,4-5H.
What are the key properties of 3-formylpyrazolo[1,5-a]pyrimidine-5-carbonitrile?
3-formylpyrazolo[1,5-a]pyrimidine-5-carbonitrile has a molecular weight of 172.15 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formylpyrazolo[1,5-a]pyrimidine-5-carbonitrile is sourced from PubChem (CID 130047076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).