3-bromo-7-(difluoromethyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C11H16BrF2N3 — CID 136838977

IUPAC3-bromo-7-(difluoromethyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)Cc1nn2c(c1Br)NCCC2C(F)F
InChIInChI=1S/C11H16BrF2N3/c1-6(2)5-7-9(12)11-15-4-3-8(10(13)14)17(11)16-7/h6,8,10,15H,3-5H2,1-2H3
InChIKeyZNSSZYOHZOGODT-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.47
Rot. Bonds3

About 3-bromo-7-(difluoromethyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

3-bromo-7-(difluoromethyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838977) has the molecular formula C11H16BrF2N3 and a molecular weight of 308.17 g/mol. Its IUPAC name is 3-bromo-7-(difluoromethyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-(difluoromethyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838977
Molecular FormulaC11H16BrF2N3
Molecular Weight308.17 g/mol
Exact Mass307.05
IUPAC Name3-bromo-7-(difluoromethyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)Cc1nn2c(c1Br)NCCC2C(F)F
InChIInChI=1S/C11H16BrF2N3/c1-6(2)5-7-9(12)11-15-4-3-8(10(13)14)17(11)16-7/h6,8,10,15H,3-5H2,1-2H3
InChIKeyZNSSZYOHZOGODT-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(difluoromethyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-(difluoromethyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838977) is 3-bromo-7-(difluoromethyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-(difluoromethyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-(difluoromethyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC(C)Cc1nn2c(c1Br)NCCC2C(F)F.
What is the InChIKey of 3-bromo-7-(difluoromethyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is ZNSSZYOHZOGODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrF2N3/c1-6(2)5-7-9(12)11-15-4-3-8(10(13)14)17(11)16-7/h6,8,10,15H,3-5H2,1-2H3.
What are the key properties of 3-bromo-7-(difluoromethyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
3-bromo-7-(difluoromethyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 308.17 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(difluoromethyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).