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

C11H18N4O2S — CID 136709603

IUPAC7-cyclopropyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(c1S(C)(=O)=O)NCCC2C1CC1
InChIInChI=1S/C11H18N4O2S/c1-12-10-9(18(2,16)17)11-13-6-5-8(7-3-4-7)15(11)14-10/h7-8,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyGJVWLFWLWMSCCE-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.10
Rot. Bonds3

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

7-cyclopropyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 136709603) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 7-cyclopropyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-cyclopropyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID136709603
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name7-cyclopropyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(c1S(C)(=O)=O)NCCC2C1CC1
InChIInChI=1S/C11H18N4O2S/c1-12-10-9(18(2,16)17)11-13-6-5-8(7-3-4-7)15(11)14-10/h7-8,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyGJVWLFWLWMSCCE-UHFFFAOYSA-N
XLogP1.10
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-cyclopropyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine (CID 136709603) is 7-cyclopropyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-cyclopropyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-cyclopropyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(c1S(C)(=O)=O)NCCC2C1CC1.
What is the InChIKey of 7-cyclopropyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is GJVWLFWLWMSCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-12-10-9(18(2,16)17)11-13-6-5-8(7-3-4-7)15(11)14-10/h7-8,13H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 7-cyclopropyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
7-cyclopropyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 270.36 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 136709603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).