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

C10H15F3N4O2S — CID 136709605

IUPACN,5-dimethyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(c1S(C)(=O)=O)NC(C)CC2C(F)(F)F
InChIInChI=1S/C10H15F3N4O2S/c1-5-4-6(10(11,12)13)17-9(15-5)7(20(3,18)19)8(14-2)16-17/h5-6,15H,4H2,1-3H3,(H,14,16)
InChIKeyLEKSARQLCRFQDB-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.64
Rot. Bonds2

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

N,5-dimethyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 136709605) has the molecular formula C10H15F3N4O2S and a molecular weight of 312.32 g/mol. Its IUPAC name is N,5-dimethyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID136709605
Molecular FormulaC10H15F3N4O2S
Molecular Weight312.32 g/mol
Exact Mass312.09
IUPAC NameN,5-dimethyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(c1S(C)(=O)=O)NC(C)CC2C(F)(F)F
InChIInChI=1S/C10H15F3N4O2S/c1-5-4-6(10(11,12)13)17-9(15-5)7(20(3,18)19)8(14-2)16-17/h5-6,15H,4H2,1-3H3,(H,14,16)
InChIKeyLEKSARQLCRFQDB-UHFFFAOYSA-N
XLogP1.64
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of N,5-dimethyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine (CID 136709605) is N,5-dimethyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for N,5-dimethyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for N,5-dimethyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(c1S(C)(=O)=O)NC(C)CC2C(F)(F)F.
What is the InChIKey of N,5-dimethyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is LEKSARQLCRFQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2S/c1-5-4-6(10(11,12)13)17-9(15-5)7(20(3,18)19)8(14-2)16-17/h5-6,15H,4H2,1-3H3,(H,14,16).
What are the key properties of N,5-dimethyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
N,5-dimethyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 312.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 136709605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).