N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine

C18H21N5O2S — CID 91653166

IUPACN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(Nc3ccn4nccc4n3)CC2)cc1
InChIInChI=1S/C18H21N5O2S/c1-14-2-4-16(5-3-14)26(24,25)22-11-7-15(8-12-22)20-17-9-13-23-18(21-17)6-10-19-23/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,20,21)
InChIKeyXRBHWBJYXACZNK-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.30
Rot. Bonds4

About N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine

N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 91653166) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID91653166
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(Nc3ccn4nccc4n3)CC2)cc1
InChIInChI=1S/C18H21N5O2S/c1-14-2-4-16(5-3-14)26(24,25)22-11-7-15(8-12-22)20-17-9-13-23-18(21-17)6-10-19-23/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,20,21)
InChIKeyXRBHWBJYXACZNK-UHFFFAOYSA-N
XLogP2.30
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 122052821
6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine
CID 75521032
3-tert-butyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489059
N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine
CID 3977208
3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine
CID 136512662
N-(3-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372348
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 17484951
2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
CID 17451201
N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 167788841
N-(oxan-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372562
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 78836379
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 91653166) is N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine is Cc1ccc(S(=O)(=O)N2CCC(Nc3ccn4nccc4n3)CC2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is XRBHWBJYXACZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-14-2-4-16(5-3-14)26(24,25)22-11-7-15(8-12-22)20-17-9-13-23-18(21-17)6-10-19-23/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,20,21).
What are the key properties of N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 371.47 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 91653166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).