5,7-dimethyl-2-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C13H15N5O — CID 71698615

IUPAC5,7-dimethyl-2-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(C)n2nc(N3CCOCC3)c(C#N)c2n1
InChIInChI=1S/C13H15N5O/c1-9-7-10(2)18-12(15-9)11(8-14)13(16-18)17-3-5-19-6-4-17/h7H,3-6H2,1-2H3
InChIKeyFOXRYGOTCBAYIB-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.05
Rot. Bonds1

About 5,7-dimethyl-2-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

5,7-dimethyl-2-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 71698615) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 5,7-dimethyl-2-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5,7-dimethyl-2-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID71698615
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name5,7-dimethyl-2-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(C)n2nc(N3CCOCC3)c(C#N)c2n1
InChIInChI=1S/C13H15N5O/c1-9-7-10(2)18-12(15-9)11(8-14)13(16-18)17-3-5-19-6-4-17/h7H,3-6H2,1-2H3
InChIKeyFOXRYGOTCBAYIB-UHFFFAOYSA-N
XLogP1.05
TPSA66.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5,7-dimethyl-2-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 71698615) is 5,7-dimethyl-2-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5,7-dimethyl-2-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5,7-dimethyl-2-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1cc(C)n2nc(N3CCOCC3)c(C#N)c2n1.
What is the InChIKey of 5,7-dimethyl-2-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is FOXRYGOTCBAYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-9-7-10(2)18-12(15-9)11(8-14)13(16-18)17-3-5-19-6-4-17/h7H,3-6H2,1-2H3.
What are the key properties of 5,7-dimethyl-2-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5,7-dimethyl-2-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 257.30 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 71698615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).