5-(1,3-benzodioxol-5-yl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C15H8F2N4O2 — CID 4767360

IUPAC5-(1,3-benzodioxol-5-yl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(C(F)F)cc(-c3ccc4c(c3)OCO4)nc12
InChIInChI=1S/C15H8F2N4O2/c16-14(17)11-4-10(20-15-9(5-18)6-19-21(11)15)8-1-2-12-13(3-8)23-7-22-12/h1-4,6,14H,7H2
InChIKeyATWCLBXGLVZNAV-UHFFFAOYSA-N
MW314.25 g/mol
LogP2.93
Rot. Bonds2

About 5-(1,3-benzodioxol-5-yl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-(1,3-benzodioxol-5-yl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 4767360) has the molecular formula C15H8F2N4O2 and a molecular weight of 314.25 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID4767360
Molecular FormulaC15H8F2N4O2
Molecular Weight314.25 g/mol
Exact Mass314.06
IUPAC Name5-(1,3-benzodioxol-5-yl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(C(F)F)cc(-c3ccc4c(c3)OCO4)nc12
InChIInChI=1S/C15H8F2N4O2/c16-14(17)11-4-10(20-15-9(5-18)6-19-21(11)15)8-1-2-12-13(3-8)23-7-22-12/h1-4,6,14H,7H2
InChIKeyATWCLBXGLVZNAV-UHFFFAOYSA-N
XLogP2.93
TPSA72.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,3-benzodioxol-5-yl)-3-chloro-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 4774216
7-amino-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70686472
5-(4-chloro-3-methylphenyl)-7-(difluoromethyl)-3-ethynylpyrazolo[1,5-a]pyrimidine
CID 86608084
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 19575669
7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 11405592
3,7-bis(difluoromethyl)-5-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine
CID 175939145
2-(1,3-benzodioxol-5-yl)-5-methoxypyridine-4-carbonitrile
CID 116864671
6-(1,3-benzodioxol-5-yl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2110872
[5-(1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone
CID 649451
5-(1,3-benzodioxol-5-yl)-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171981660
[5-(1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-cyclopentylmethanone
CID 59011455
6-(1,3-benzodioxol-5-yl)-1-benzyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine
CID 19497762

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 4767360) is 5-(1,3-benzodioxol-5-yl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(C(F)F)cc(-c3ccc4c(c3)OCO4)nc12.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is ATWCLBXGLVZNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N4O2/c16-14(17)11-4-10(20-15-9(5-18)6-19-21(11)15)8-1-2-12-13(3-8)23-7-22-12/h1-4,6,14H,7H2.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-(1,3-benzodioxol-5-yl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 314.25 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 4767360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).