5-(1,3-benzodioxol-5-yl)-3-chloro-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine

C15H10ClF2N3O2 — CID 4774216

IUPAC5-(1,3-benzodioxol-5-yl)-3-chloro-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(C(F)F)cc(-c3ccc4c(c3)OCO4)nc2c1Cl
InChIInChI=1S/C15H10ClF2N3O2/c1-7-13(16)15-19-9(5-10(14(17)18)21(15)20-7)8-2-3-11-12(4-8)23-6-22-11/h2-5,14H,6H2,1H3
InChIKeyCNVOJPSWYNIEGE-UHFFFAOYSA-N
MW337.71 g/mol
LogP4.02
Rot. Bonds2

About 5-(1,3-benzodioxol-5-yl)-3-chloro-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine

5-(1,3-benzodioxol-5-yl)-3-chloro-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 4774216) has the molecular formula C15H10ClF2N3O2 and a molecular weight of 337.71 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-3-chloro-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-3-chloro-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID4774216
Molecular FormulaC15H10ClF2N3O2
Molecular Weight337.71 g/mol
Exact Mass337.04
IUPAC Name5-(1,3-benzodioxol-5-yl)-3-chloro-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(C(F)F)cc(-c3ccc4c(c3)OCO4)nc2c1Cl
InChIInChI=1S/C15H10ClF2N3O2/c1-7-13(16)15-19-9(5-10(14(17)18)21(15)20-7)8-2-3-11-12(4-8)23-6-22-11/h2-5,14H,6H2,1H3
InChIKeyCNVOJPSWYNIEGE-UHFFFAOYSA-N
XLogP4.02
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.71
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-chloro-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-chloro-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine (CID 4774216) is 5-(1,3-benzodioxol-5-yl)-3-chloro-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-3-chloro-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-3-chloro-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine is Cc1nn2c(C(F)F)cc(-c3ccc4c(c3)OCO4)nc2c1Cl.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-3-chloro-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CNVOJPSWYNIEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3O2/c1-7-13(16)15-19-9(5-10(14(17)18)21(15)20-7)8-2-3-11-12(4-8)23-6-22-11/h2-5,14H,6H2,1H3.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-3-chloro-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine?
5-(1,3-benzodioxol-5-yl)-3-chloro-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 337.71 g/mol, XLogP of 4.02, 2 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)-3-chloro-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4774216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).