1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile

C16H16N6O — CID 71980371

IUPAC1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile
SMILESCc1cc(C)n2ncc(-c3noc(C4(C#N)CCCC4)n3)c2n1
InChIInChI=1S/C16H16N6O/c1-10-7-11(2)22-14(19-10)12(8-18-22)13-20-15(23-21-13)16(9-17)5-3-4-6-16/h7-8H,3-6H2,1-2H3
InChIKeyGKCOKBPNELFRQE-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.73
Rot. Bonds2

About 1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile

1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile (PubChem CID 71980371) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile
PubChem CID71980371
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile
SMILESCc1cc(C)n2ncc(-c3noc(C4(C#N)CCCC4)n3)c2n1
InChIInChI=1S/C16H16N6O/c1-10-7-11(2)22-14(19-10)12(8-18-22)13-20-15(23-21-13)16(9-17)5-3-4-6-16/h7-8H,3-6H2,1-2H3
InChIKeyGKCOKBPNELFRQE-UHFFFAOYSA-N
XLogP2.73
TPSA92.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile (CID 71980371) is 1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile is Cc1cc(C)n2ncc(-c3noc(C4(C#N)CCCC4)n3)c2n1.
What is the InChIKey of 1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile?
The InChIKey is GKCOKBPNELFRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-10-7-11(2)22-14(19-10)12(8-18-22)13-20-15(23-21-13)16(9-17)5-3-4-6-16/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile?
1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile has a molecular weight of 308.35 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 71980371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).