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

C14H24N4O2S — CID 136709592

IUPAC7-cyclohexyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(c1S(C)(=O)=O)NCCC2C1CCCCC1
InChIInChI=1S/C14H24N4O2S/c1-15-13-12(21(2,19)20)14-16-9-8-11(18(14)17-13)10-6-4-3-5-7-10/h10-11,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyXMBMCOXCCFGNOX-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.27
Rot. Bonds3

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

7-cyclohexyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 136709592) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 7-cyclohexyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-cyclohexyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID136709592
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name7-cyclohexyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(c1S(C)(=O)=O)NCCC2C1CCCCC1
InChIInChI=1S/C14H24N4O2S/c1-15-13-12(21(2,19)20)14-16-9-8-11(18(14)17-13)10-6-4-3-5-7-10/h10-11,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyXMBMCOXCCFGNOX-UHFFFAOYSA-N
XLogP2.27
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-cyclopropyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
CID 136709603
7-(aminomethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
CID 136933850
1-cyclohexyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102825998
6-cyclohexyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
CID 136841572
ethyl 7-methyl-2-(methylamino)-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 136709588
2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841127
7-cyclopentyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838968
1-cycloheptyl-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826017
1-cyclopentyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine
CID 102825977
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-N-methylpyridin-2-amine
CID 102728064
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine
CID 82753381
2-butan-2-yl-7-(4-ethylcyclohexyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 167480060

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-cyclohexyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine (CID 136709592) is 7-cyclohexyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-cyclohexyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-cyclohexyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(c1S(C)(=O)=O)NCCC2C1CCCCC1.
What is the InChIKey of 7-cyclohexyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is XMBMCOXCCFGNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-15-13-12(21(2,19)20)14-16-9-8-11(18(14)17-13)10-6-4-3-5-7-10/h10-11,16H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 7-cyclohexyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
7-cyclohexyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 312.44 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 136709592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).