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

C13H17F2N5 — CID 4773372

IUPAC7-(difluoromethyl)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1cc2n(n1)C(C(F)F)CC(c1cn(C)nc1C)N2
InChIInChI=1S/C13H17F2N5/c1-7-4-12-16-10(9-6-19(3)18-8(9)2)5-11(13(14)15)20(12)17-7/h4,6,10-11,13,16H,5H2,1-3H3
InChIKeyIUHNCVSIMQBKPZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.60
Rot. Bonds2

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

7-(difluoromethyl)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 4773372) has the molecular formula C13H17F2N5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(difluoromethyl)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID4773372
Molecular FormulaC13H17F2N5
Molecular Weight281.31 g/mol
Exact Mass281.15
IUPAC Name7-(difluoromethyl)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1cc2n(n1)C(C(F)F)CC(c1cn(C)nc1C)N2
InChIInChI=1S/C13H17F2N5/c1-7-4-12-16-10(9-6-19(3)18-8(9)2)5-11(13(14)15)20(12)17-7/h4,6,10-11,13,16H,5H2,1-3H3
InChIKeyIUHNCVSIMQBKPZ-UHFFFAOYSA-N
XLogP2.60
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(difluoromethyl)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 4773372) is 7-(difluoromethyl)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(difluoromethyl)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(difluoromethyl)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1cc2n(n1)C(C(F)F)CC(c1cn(C)nc1C)N2.
What is the InChIKey of 7-(difluoromethyl)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is IUHNCVSIMQBKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N5/c1-7-4-12-16-10(9-6-19(3)18-8(9)2)5-11(13(14)15)20(12)17-7/h4,6,10-11,13,16H,5H2,1-3H3.
What are the key properties of 7-(difluoromethyl)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(difluoromethyl)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 281.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4773372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).