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

C10H15F2N3 — CID 136837972

IUPAC7-(difluoromethyl)-2-ethyl-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(c1C)NCCC2C(F)F
InChIInChI=1S/C10H15F2N3/c1-3-7-6(2)10-13-5-4-8(9(11)12)15(10)14-7/h8-9,13H,3-5H2,1-2H3
InChIKeyLZZOQKNCLUQCHB-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.38
Rot. Bonds2

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

7-(difluoromethyl)-2-ethyl-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136837972) has the molecular formula C10H15F2N3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 7-(difluoromethyl)-2-ethyl-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(difluoromethyl)-2-ethyl-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136837972
Molecular FormulaC10H15F2N3
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name7-(difluoromethyl)-2-ethyl-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(c1C)NCCC2C(F)F
InChIInChI=1S/C10H15F2N3/c1-3-7-6(2)10-13-5-4-8(9(11)12)15(10)14-7/h8-9,13H,3-5H2,1-2H3
InChIKeyLZZOQKNCLUQCHB-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-2-ethyl-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(difluoromethyl)-2-ethyl-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136837972) is 7-(difluoromethyl)-2-ethyl-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(difluoromethyl)-2-ethyl-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(difluoromethyl)-2-ethyl-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCc1nn2c(c1C)NCCC2C(F)F.
What is the InChIKey of 7-(difluoromethyl)-2-ethyl-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is LZZOQKNCLUQCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3/c1-3-7-6(2)10-13-5-4-8(9(11)12)15(10)14-7/h8-9,13H,3-5H2,1-2H3.
What are the key properties of 7-(difluoromethyl)-2-ethyl-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(difluoromethyl)-2-ethyl-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 215.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-2-ethyl-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136837972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).