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

C8H4N4O — CID 50990808

IUPAC6-formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2cc(C=O)cnc12
InChIInChI=1S/C8H4N4O/c9-1-7-3-11-12-4-6(5-13)2-10-8(7)12/h2-5H
InChIKeyYRXCWLJVNBJLCU-UHFFFAOYSA-N
MW172.15 g/mol
LogP0.41
Rot. Bonds1

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

6-formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 50990808) has the molecular formula C8H4N4O and a molecular weight of 172.15 g/mol. Its IUPAC name is 6-formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID50990808
Molecular FormulaC8H4N4O
Molecular Weight172.15 g/mol
Exact Mass172.04
IUPAC Name6-formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2cc(C=O)cnc12
InChIInChI=1S/C8H4N4O/c9-1-7-3-11-12-4-6(5-13)2-10-8(7)12/h2-5H
InChIKeyYRXCWLJVNBJLCU-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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Frequently Asked Questions

What is the IUPAC name of 6-formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 50990808) is 6-formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2cc(C=O)cnc12.
What is the InChIKey of 6-formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is YRXCWLJVNBJLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O/c9-1-7-3-11-12-4-6(5-13)2-10-8(7)12/h2-5H.
What are the key properties of 6-formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-formylpyrazolo[1,5-a]pyrimidine-3-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 6-formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 50990808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).