2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole

C20H21N9O — CID 19552854

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole
SMILESCc1cc(C)n(CCc2nnc(-c3cc4nccc(-c5cnn(C)c5C)n4n3)o2)n1
InChIInChI=1S/C20H21N9O/c1-12-9-13(2)28(25-12)8-6-19-23-24-20(30-19)16-10-18-21-7-5-17(29(18)26-16)15-11-22-27(4)14(15)3/h5,7,9-11H,6,8H2,1-4H3
InChIKeyOUAMYIMOWZOPIQ-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.54
Rot. Bonds5

About 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole

2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole (PubChem CID 19552854) has the molecular formula C20H21N9O and a molecular weight of 403.45 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole
PubChem CID19552854
Molecular FormulaC20H21N9O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole
SMILESCc1cc(C)n(CCc2nnc(-c3cc4nccc(-c5cnn(C)c5C)n4n3)o2)n1
InChIInChI=1S/C20H21N9O/c1-12-9-13(2)28(25-12)8-6-19-23-24-20(30-19)16-10-18-21-7-5-17(29(18)26-16)15-11-22-27(4)14(15)3/h5,7,9-11H,6,8H2,1-4H3
InChIKeyOUAMYIMOWZOPIQ-UHFFFAOYSA-N
XLogP2.54
TPSA104.75 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole (CID 19552854) is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole is Cc1cc(C)n(CCc2nnc(-c3cc4nccc(-c5cnn(C)c5C)n4n3)o2)n1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole?
The InChIKey is OUAMYIMOWZOPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N9O/c1-12-9-13(2)28(25-12)8-6-19-23-24-20(30-19)16-10-18-21-7-5-17(29(18)26-16)15-11-22-27(4)14(15)3/h5,7,9-11H,6,8H2,1-4H3.
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole?
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole has a molecular weight of 403.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 19552854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).