3-bromo-5-tert-butyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(4-methylsulfonylphenyl)-5-phenyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C91H91Br3N20O6S3 — CID 158644406

IUPAC3-bromo-5-tert-butyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(4-methylsulfonylphenyl)-5-phenyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)c1cc(Nc2ccccc2)n2ncc(Br)c2n1.CC(C)c1cc(Nc2ccc(S(C)(=O)=O)cc2)n2ncc(Br)c2n1.CC(C)c1cc(Nc2ccccc2)n2ncc(Br)c2n1.CC(C)c1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(-c3ccccc3)nc12.CS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(C4CC4)cnn23)cc1
InChIInChI=1S/C22H20N4O2S.C22H22N4O2S.C16H17BrN4O2S.C16H17BrN4.C15H15BrN4/c1-29(27,28)18-11-9-17(10-12-18)24-21-13-20(16-5-3-2-4-6-16)25-22-19(15-7-8-15)14-23-26(21)22;1-15(2)19-14-23-26-21(24-17-9-11-18(12-10-17)29(3,27)28)13-20(25-22(19)26)16-7-5-4-6-8-16;1-10(2)14-8-15(21-16(20-14)13(17)9-18-21)19-11-4-6-12(7-5-11)24(3,22)23;1-16(2,3)13-9-14(19-11-7-5-4-6-8-11)21-15(20-13)12(17)10-18-21;1-10(2)13-8-14(18-11-6-4-3-5-7-11)20-15(19-13)12(16)9-17-20/h2-6,9-15,24H,7-8H2,1H3;4-15,24H,1-3H3;4-10,19H,1-3H3;4-10,19H,1-3H3;3-10,18H,1-2H3
InChIKeyIAUAFNCLRRYHOH-UHFFFAOYSA-N
MW1896.78 g/mol
LogP21.74
Rot. Bonds19

About 3-bromo-5-tert-butyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(4-methylsulfonylphenyl)-5-phenyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-tert-butyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(4-methylsulfonylphenyl)-5-phenyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158644406) has the molecular formula C91H91Br3N20O6S3 and a molecular weight of 1896.78 g/mol. Its IUPAC name is 3-bromo-5-tert-butyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(4-methylsulfonylphenyl)-5-phenyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-tert-butyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(4-methylsulfonylphenyl)-5-phenyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID158644406
Molecular FormulaC91H91Br3N20O6S3
Molecular Weight1896.78 g/mol
Exact Mass1892.41
IUPAC Name3-bromo-5-tert-butyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(4-methylsulfonylphenyl)-5-phenyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)c1cc(Nc2ccccc2)n2ncc(Br)c2n1.CC(C)c1cc(Nc2ccc(S(C)(=O)=O)cc2)n2ncc(Br)c2n1.CC(C)c1cc(Nc2ccccc2)n2ncc(Br)c2n1.CC(C)c1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(-c3ccccc3)nc12.CS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(C4CC4)cnn23)cc1
InChIInChI=1S/C22H20N4O2S.C22H22N4O2S.C16H17BrN4O2S.C16H17BrN4.C15H15BrN4/c1-29(27,28)18-11-9-17(10-12-18)24-21-13-20(16-5-3-2-4-6-16)25-22-19(15-7-8-15)14-23-26(21)22;1-15(2)19-14-23-26-21(24-17-9-11-18(12-10-17)29(3,27)28)13-20(25-22(19)26)16-7-5-4-6-8-16;1-10(2)14-8-15(21-16(20-14)13(17)9-18-21)19-11-4-6-12(7-5-11)24(3,22)23;1-16(2,3)13-9-14(19-11-7-5-4-6-8-11)21-15(20-13)12(17)10-18-21;1-10(2)13-8-14(18-11-6-4-3-5-7-11)20-15(19-13)12(16)9-17-20/h2-6,9-15,24H,7-8H2,1H3;4-15,24H,1-3H3;4-10,19H,1-3H3;4-10,19H,1-3H3;3-10,18H,1-2H3
InChIKeyIAUAFNCLRRYHOH-UHFFFAOYSA-N
XLogP21.74
TPSA313.52 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001896.78
LogP ≤ 521.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Analyze 3-bromo-5-tert-butyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(4-methylsulfonylphenyl)-5-phenyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)-5-[(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 158538668
3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-butyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 142876553
3-[2-[5-[(3-bromo-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylsulfonylphenyl]cyclopropyl]-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 142876580
3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclobutyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 143439779
[(1S,2R)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-bis(2-hydroxyethyl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 157199872
CID 157451012
CID 157451012
6-bromo-3-(5-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(3H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine)
CID 157455036
(2S)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;[1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol;[(2R)-1-[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
CID 157472880
4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-cyclopentylbenzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1-hydroxypropan-2-yl)benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide;[4-[[4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]sulfonylamino]piperidin-1-yl]-methylborinic acid
CID 157625090
[(1R,2R)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1S,2R)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[1-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol;3-bromo-N-(4-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157927153
[(1R,2R)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1S,2R)-2-[[3-bromo-7-(4-methylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;3-bromo-N-(4-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157950332
4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide;4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 158004778

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-tert-butyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(4-methylsulfonylphenyl)-5-phenyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-tert-butyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(4-methylsulfonylphenyl)-5-phenyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158644406) is 3-bromo-5-tert-butyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(4-methylsulfonylphenyl)-5-phenyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-tert-butyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(4-methylsulfonylphenyl)-5-phenyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-tert-butyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(4-methylsulfonylphenyl)-5-phenyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)(C)c1cc(Nc2ccccc2)n2ncc(Br)c2n1.CC(C)c1cc(Nc2ccc(S(C)(=O)=O)cc2)n2ncc(Br)c2n1.CC(C)c1cc(Nc2ccccc2)n2ncc(Br)c2n1.CC(C)c1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(-c3ccccc3)nc12.CS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(C4CC4)cnn23)cc1.
What is the InChIKey of 3-bromo-5-tert-butyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(4-methylsulfonylphenyl)-5-phenyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IAUAFNCLRRYHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S.C22H22N4O2S.C16H17BrN4O2S.C16H17BrN4.C15H15BrN4/c1-29(27,28)18-11-9-17(10-12-18)24-21-13-20(16-5-3-2-4-6-16)25-22-19(15-7-8-15)14-23-26(21)22;1-15(2)19-14-23-26-21(24-17-9-11-18(12-10-17)29(3,27)28)13-20(25-22(19)26)16-7-5-4-6-8-16;1-10(2)14-8-15(21-16(20-14)13(17)9-18-21)19-11-4-6-12(7-5-11)24(3,22)23;1-16(2,3)13-9-14(19-11-7-5-4-6-8-11)21-15(20-13)12(17)10-18-21;1-10(2)13-8-14(18-11-6-4-3-5-7-11)20-15(19-13)12(16)9-17-20/h2-6,9-15,24H,7-8H2,1H3;4-15,24H,1-3H3;4-10,19H,1-3H3;4-10,19H,1-3H3;3-10,18H,1-2H3.
What are the key properties of 3-bromo-5-tert-butyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(4-methylsulfonylphenyl)-5-phenyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-tert-butyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(4-methylsulfonylphenyl)-5-phenyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1896.78 g/mol, XLogP of 21.74, 19 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-tert-butyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(4-methylsulfonylphenyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-N-(4-methylsulfonylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-(4-methylsulfonylphenyl)-5-phenyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158644406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).