5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C8H6N4O — CID 2819027

IUPAC5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(=O)n2[nH]cc(C#N)c2n1
InChIInChI=1S/C8H6N4O/c1-5-2-7(13)12-8(11-5)6(3-9)4-10-12/h2,4,10H,1H3
InChIKeyBURYOVHUIIUWEU-UHFFFAOYSA-N
MW174.16 g/mol
LogP0.20
Rot. Bonds

About 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 2819027) has the molecular formula C8H6N4O and a molecular weight of 174.16 g/mol. Its IUPAC name is 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID2819027
Molecular FormulaC8H6N4O
Molecular Weight174.16 g/mol
Exact Mass174.05
IUPAC Name5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(=O)n2[nH]cc(C#N)c2n1
InChIInChI=1S/C8H6N4O/c1-5-2-7(13)12-8(11-5)6(3-9)4-10-12/h2,4,10H,1H3
InChIKeyBURYOVHUIIUWEU-UHFFFAOYSA-N
XLogP0.20
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 2819027) is 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1cc(=O)n2[nH]cc(C#N)c2n1.
What is the InChIKey of 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is BURYOVHUIIUWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O/c1-5-2-7(13)12-8(11-5)6(3-9)4-10-12/h2,4,10H,1H3.
What are the key properties of 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 174.16 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 2819027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).