5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C9H8N4 — CID 2819029

IUPAC5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(C)n2ncc(C#N)c2n1
InChIInChI=1S/C9H8N4/c1-6-3-7(2)13-9(12-6)8(4-10)5-11-13/h3,5H,1-2H3
InChIKeyKKTGTASECSGJJD-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.22
Rot. Bonds

About 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 2819029) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID2819029
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(C)n2ncc(C#N)c2n1
InChIInChI=1S/C9H8N4/c1-6-3-7(2)13-9(12-6)8(4-10)5-11-13/h3,5H,1-2H3
InChIKeyKKTGTASECSGJJD-UHFFFAOYSA-N
XLogP1.22
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 2819029) is 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1cc(C)n2ncc(C#N)c2n1.
What is the InChIKey of 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is KKTGTASECSGJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4/c1-6-3-7(2)13-9(12-6)8(4-10)5-11-13/h3,5H,1-2H3.
What are the key properties of 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 172.19 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 2819029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).