methyl 2-[5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]acetate

C16H15N7O3 — CID 19552851

IUPACmethyl 2-[5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]acetate
SMILESCOC(=O)Cc1nnc(-c2cc3nccc(-c4cnn(C)c4C)n3n2)o1
InChIInChI=1S/C16H15N7O3/c1-9-10(8-18-22(9)2)12-4-5-17-13-6-11(21-23(12)13)16-20-19-14(26-16)7-15(24)25-3/h4-6,8H,7H2,1-3H3
InChIKeyWWECXBAGZFHBOZ-UHFFFAOYSA-N
MW353.34 g/mol
LogP1.20
Rot. Bonds4

About methyl 2-[5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]acetate

methyl 2-[5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]acetate (PubChem CID 19552851) has the molecular formula C16H15N7O3 and a molecular weight of 353.34 g/mol. Its IUPAC name is methyl 2-[5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]acetate
PubChem CID19552851
Molecular FormulaC16H15N7O3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Namemethyl 2-[5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]acetate
SMILESCOC(=O)Cc1nnc(-c2cc3nccc(-c4cnn(C)c4C)n3n2)o1
InChIInChI=1S/C16H15N7O3/c1-9-10(8-18-22(9)2)12-4-5-17-13-6-11(21-23(12)13)16-20-19-14(26-16)7-15(24)25-3/h4-6,8H,7H2,1-3H3
InChIKeyWWECXBAGZFHBOZ-UHFFFAOYSA-N
XLogP1.20
TPSA113.23 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]acetate?
The IUPAC name of methyl 2-[5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]acetate (CID 19552851) is methyl 2-[5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]acetate is COC(=O)Cc1nnc(-c2cc3nccc(-c4cnn(C)c4C)n3n2)o1.
What is the InChIKey of methyl 2-[5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]acetate?
The InChIKey is WWECXBAGZFHBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O3/c1-9-10(8-18-22(9)2)12-4-5-17-13-6-11(21-23(12)13)16-20-19-14(26-16)7-15(24)25-3/h4-6,8H,7H2,1-3H3.
What are the key properties of methyl 2-[5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]acetate?
methyl 2-[5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]acetate has a molecular weight of 353.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]acetate is sourced from PubChem (CID 19552851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).