pyrazolo[1,5-a]pyrimidine-5-carbonitrile

C7H4N4 — CID 23156341

IUPACpyrazolo[1,5-a]pyrimidine-5-carbonitrile
SMILESN#Cc1ccn2nccc2n1
InChIInChI=1S/C7H4N4/c8-5-6-2-4-11-7(10-6)1-3-9-11/h1-4H
InChIKeyFUDXQYZITFGAQK-UHFFFAOYSA-N
MW144.14 g/mol
LogP0.60
Rot. Bonds

About pyrazolo[1,5-a]pyrimidine-5-carbonitrile

pyrazolo[1,5-a]pyrimidine-5-carbonitrile (PubChem CID 23156341) has the molecular formula C7H4N4 and a molecular weight of 144.14 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrimidine-5-carbonitrile
PubChem CID23156341
Molecular FormulaC7H4N4
Molecular Weight144.14 g/mol
Exact Mass144.04
IUPAC Namepyrazolo[1,5-a]pyrimidine-5-carbonitrile
SMILESN#Cc1ccn2nccc2n1
InChIInChI=1S/C7H4N4/c8-5-6-2-4-11-7(10-6)1-3-9-11/h1-4H
InChIKeyFUDXQYZITFGAQK-UHFFFAOYSA-N
XLogP0.60
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyrimidine-5-carbonitrile?
The IUPAC name of pyrazolo[1,5-a]pyrimidine-5-carbonitrile (CID 23156341) is pyrazolo[1,5-a]pyrimidine-5-carbonitrile.
What is the SMILES notation for pyrazolo[1,5-a]pyrimidine-5-carbonitrile?
The canonical SMILES for pyrazolo[1,5-a]pyrimidine-5-carbonitrile is N#Cc1ccn2nccc2n1.
What is the InChIKey of pyrazolo[1,5-a]pyrimidine-5-carbonitrile?
The InChIKey is FUDXQYZITFGAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4/c8-5-6-2-4-11-7(10-6)1-3-9-11/h1-4H.
What are the key properties of pyrazolo[1,5-a]pyrimidine-5-carbonitrile?
pyrazolo[1,5-a]pyrimidine-5-carbonitrile has a molecular weight of 144.14 g/mol, XLogP of 0.60, 0 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-5-carbonitrile is sourced from PubChem (CID 23156341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).