5-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-1,3,4-oxadiazol-2-one

C14H9N5O2 — CID 141184022

IUPAC5-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2cnn3c(-c4ccccc4)ccnc23)o1
InChIInChI=1S/C14H9N5O2/c20-14-18-17-13(21-14)10-8-16-19-11(6-7-15-12(10)19)9-4-2-1-3-5-9/h1-8H,(H,18,20)
InChIKeyUKTZDLYGUQKZCP-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.74
Rot. Bonds2

About 5-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-1,3,4-oxadiazol-2-one

5-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 141184022) has the molecular formula C14H9N5O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 5-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-1,3,4-oxadiazol-2-one
PubChem CID141184022
Molecular FormulaC14H9N5O2
Molecular Weight279.26 g/mol
Exact Mass279.08
IUPAC Name5-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2cnn3c(-c4ccccc4)ccnc23)o1
InChIInChI=1S/C14H9N5O2/c20-14-18-17-13(21-14)10-8-16-19-11(6-7-15-12(10)19)9-4-2-1-3-5-9/h1-8H,(H,18,20)
InChIKeyUKTZDLYGUQKZCP-UHFFFAOYSA-N
XLogP1.74
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-Amino-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819025
7-Phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 6487614
Methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 673655
5-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1,3,4-oxadiazol-2(3H)-one
CID 25016454
7-Phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1480415
N-(3-methoxypropyl)-2-[4-(2-methylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 46948608
3-Methoxypropyl-(2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)amine
CID 49795819
Ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 654938
Ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 656076
7-Phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 14501860
3-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1,2,4-oxadiazol-5(4H)-one
CID 135882232
5-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 135882249

Frequently Asked Questions

What is the IUPAC name of 5-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-1,3,4-oxadiazol-2-one (CID 141184022) is 5-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2cnn3c(-c4ccccc4)ccnc23)o1.
What is the InChIKey of 5-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is UKTZDLYGUQKZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O2/c20-14-18-17-13(21-14)10-8-16-19-11(6-7-15-12(10)19)9-4-2-1-3-5-9/h1-8H,(H,18,20).
What are the key properties of 5-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-1,3,4-oxadiazol-2-one?
5-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 279.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 141184022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).