2-methyl-3-propylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C11H12N4 — CID 169223310

IUPAC2-methyl-3-propylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCCCc1c(C)nn2cc(C#N)cnc12
InChIInChI=1S/C11H12N4/c1-3-4-10-8(2)14-15-7-9(5-12)6-13-11(10)15/h6-7H,3-4H2,1-2H3
InChIKeyZLYNYCOAMYEPKS-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.86
Rot. Bonds2

About 2-methyl-3-propylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

2-methyl-3-propylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 169223310) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 2-methyl-3-propylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-methyl-3-propylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID169223310
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name2-methyl-3-propylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCCCc1c(C)nn2cc(C#N)cnc12
InChIInChI=1S/C11H12N4/c1-3-4-10-8(2)14-15-7-9(5-12)6-13-11(10)15/h6-7H,3-4H2,1-2H3
InChIKeyZLYNYCOAMYEPKS-UHFFFAOYSA-N
XLogP1.86
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 2-methyl-3-propylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 169223310) is 2-methyl-3-propylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-methyl-3-propylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 2-methyl-3-propylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is CCCc1c(C)nn2cc(C#N)cnc12.
What is the InChIKey of 2-methyl-3-propylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is ZLYNYCOAMYEPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-3-4-10-8(2)14-15-7-9(5-12)6-13-11(10)15/h6-7H,3-4H2,1-2H3.
What are the key properties of 2-methyl-3-propylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
2-methyl-3-propylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 200.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 169223310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).