5-(1,3-benzodioxol-5-yl)-7-chloropyrazolo[1,5-a]pyrimidine

C13H8ClN3O2 — CID 21066363

IUPAC5-(1,3-benzodioxol-5-yl)-7-chloropyrazolo[1,5-a]pyrimidine
SMILESClc1cc(-c2ccc3c(c2)OCO3)nc2ccnn12
InChIInChI=1S/C13H8ClN3O2/c14-12-6-9(16-13-3-4-15-17(12)13)8-1-2-10-11(5-8)19-7-18-10/h1-6H,7H2
InChIKeyPAFUBDKHOQTRRV-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.78
Rot. Bonds1

About 5-(1,3-benzodioxol-5-yl)-7-chloropyrazolo[1,5-a]pyrimidine

5-(1,3-benzodioxol-5-yl)-7-chloropyrazolo[1,5-a]pyrimidine (PubChem CID 21066363) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-7-chloropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-7-chloropyrazolo[1,5-a]pyrimidine
PubChem CID21066363
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name5-(1,3-benzodioxol-5-yl)-7-chloropyrazolo[1,5-a]pyrimidine
SMILESClc1cc(-c2ccc3c(c2)OCO3)nc2ccnn12
InChIInChI=1S/C13H8ClN3O2/c14-12-6-9(16-13-3-4-15-17(12)13)8-1-2-10-11(5-8)19-7-18-10/h1-6H,7H2
InChIKeyPAFUBDKHOQTRRV-UHFFFAOYSA-N
XLogP2.78
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine
CID 15749997
3-(1,3-benzodioxol-5-yl)-1-chloroisoquinoline
CID 22503396
2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine
CID 113428335
2-(1,3-benzodioxol-5-yl)-4-chloroquinoline
CID 58658852
5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4767452
2-(1,3-benzodioxol-5-yl)-4-methylpyridine
CID 175812188
5-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine
CID 67000939
4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)pyrimidine
CID 116899243
5-(1,3-benzodioxol-5-yl)-3-chloro-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 4774216
6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 107646923
4-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-(4-chlorophenyl)pyridine
CID 102071898
2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole
CID 116892273

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-7-chloropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-7-chloropyrazolo[1,5-a]pyrimidine (CID 21066363) is 5-(1,3-benzodioxol-5-yl)-7-chloropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-7-chloropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-7-chloropyrazolo[1,5-a]pyrimidine is Clc1cc(-c2ccc3c(c2)OCO3)nc2ccnn12.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-7-chloropyrazolo[1,5-a]pyrimidine?
The InChIKey is PAFUBDKHOQTRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-12-6-9(16-13-3-4-15-17(12)13)8-1-2-10-11(5-8)19-7-18-10/h1-6H,7H2.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-7-chloropyrazolo[1,5-a]pyrimidine?
5-(1,3-benzodioxol-5-yl)-7-chloropyrazolo[1,5-a]pyrimidine has a molecular weight of 273.68 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-7-chloropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21066363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).