7-(difluoromethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine

C9H14F2N4O2S — CID 136709598

IUPAC7-(difluoromethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(c1S(C)(=O)=O)NCCC2C(F)F
InChIInChI=1S/C9H14F2N4O2S/c1-12-8-6(18(2,16)17)9-13-4-3-5(7(10)11)15(9)14-8/h5,7,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyJMDJKHBABJTKAP-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.95
Rot. Bonds3

About 7-(difluoromethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine

7-(difluoromethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 136709598) has the molecular formula C9H14F2N4O2S and a molecular weight of 280.30 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(difluoromethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID136709598
Molecular FormulaC9H14F2N4O2S
Molecular Weight280.30 g/mol
Exact Mass280.08
IUPAC Name7-(difluoromethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(c1S(C)(=O)=O)NCCC2C(F)F
InChIInChI=1S/C9H14F2N4O2S/c1-12-8-6(18(2,16)17)9-13-4-3-5(7(10)11)15(9)14-8/h5,7,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyJMDJKHBABJTKAP-UHFFFAOYSA-N
XLogP0.95
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-(difluoromethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine (CID 136709598) is 7-(difluoromethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-(difluoromethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-(difluoromethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(c1S(C)(=O)=O)NCCC2C(F)F.
What is the InChIKey of 7-(difluoromethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is JMDJKHBABJTKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O2S/c1-12-8-6(18(2,16)17)9-13-4-3-5(7(10)11)15(9)14-8/h5,7,13H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 7-(difluoromethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
7-(difluoromethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 280.30 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 136709598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).