3-formylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C8H4N4O — CID 105435034

IUPAC3-formylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cnc2c(C=O)cnn2c1
InChIInChI=1S/C8H4N4O/c9-1-6-2-10-8-7(5-13)3-11-12(8)4-6/h2-5H
InChIKeyVIILRCZDBSWDIZ-UHFFFAOYSA-N
MW172.15 g/mol
LogP0.41
Rot. Bonds1

About 3-formylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

3-formylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 105435034) has the molecular formula C8H4N4O and a molecular weight of 172.15 g/mol. Its IUPAC name is 3-formylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name3-formylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID105435034
Molecular FormulaC8H4N4O
Molecular Weight172.15 g/mol
Exact Mass172.04
IUPAC Name3-formylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cnc2c(C=O)cnn2c1
InChIInChI=1S/C8H4N4O/c9-1-6-2-10-8-7(5-13)3-11-12(8)4-6/h2-5H
InChIKeyVIILRCZDBSWDIZ-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

3-formylpyrazolo[1,5-a]pyridine-6-carbonitrile
CID 164558977
3-formylpyrazolo[1,5-a]pyrimidine-5-carbonitrile
CID 130047076
6-fluoro-5-formylpyridine-3-carbonitrile
CID 121380176
3-cyclobutyltriazolo[1,5-a]pyrimidine-6-carbonitrile
CID 105452012
6-cyano-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 130047318
2-methyl-3-propylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 169223310
triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 89258279
CID 170568234
CID 170568234
6-bromopyrazolo[1,5-a]pyrazine-3-carbaldehyde
CID 164559883
3-(4-methylphenyl)triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 105495917
3-ethylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 104621790
3-[5-(4-amino-2-methylpentoxy)-6-methyl-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 146260471

Frequently Asked Questions

What is the IUPAC name of 3-formylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 3-formylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 105435034) is 3-formylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 3-formylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 3-formylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is N#Cc1cnc2c(C=O)cnn2c1.
What is the InChIKey of 3-formylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is VIILRCZDBSWDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O/c9-1-6-2-10-8-7(5-13)3-11-12(8)4-6/h2-5H.
What are the key properties of 3-formylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
3-formylpyrazolo[1,5-a]pyrimidine-6-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-6-carbonitrile is sourced from PubChem (CID 105435034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).