5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-chlorothiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(5-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-phenylethynyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine

C102H120Br3ClN38S3 — CID 158595242

About 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-chlorothiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(5-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-phenylethynyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine

5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-chlorothiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(5-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-phenylethynyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158595242) has the molecular formula C102H120Br3ClN38S3 and a molecular weight of 2249.71 g/mol. Its IUPAC name is 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-chlorothiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(5-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-phenylethynyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-chlorothiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(5-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-phenylethynyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158595242
• Molecular Formula: C102H120Br3ClN38S3
• Molecular Weight: 2249.71 g/mol
• Exact Mass: 2244.70
• IUPAC Name: 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-chlorothiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(5-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-phenylethynyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CC#Cc1cnn2c(N)cc(C3CCCNC3)nc12.CCc1cnn2c(N)c(Br)c(N3CC[C@H](N)C3)nc12.CCc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.Cc1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cs1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3ccsc3Cl)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3nccs3)cnn12.Nc1cc(C2CCCNC2)nc2c(C#Cc3ccccc3)cnn12
• InChI: InChI=1S/C19H19N5.C16H19N5S.C15H15BrClN5S.C14H15BrN6S.C14H17N5.C12H17BrN6.C12H18N6/c20-18-11-17(15-7-4-10-21-12-15)23-19-16(13-22-24(18)19)9-8-14-5-2-1-3-6-14;1-10-5-12(9-22-10)13-8-19-21-15(17)6-14(20-16(13)21)11-3-2-4-18-7-11;16-11-12(8-2-1-4-19-6-8)21-15-10(7-20-22(15)14(11)18)9-3-5-23-13(9)17;15-10-11(8-2-1-3-17-6-8)20-13-9(14-18-4-5-22-14)7-19-21(13)12(10)16;1-2-4-11-9-17-19-13(15)7-12(18-14(11)19)10-5-3-6-16-8-10;1-2-7-5-16-19-10(15)9(13)12(17-11(7)19)18-4-3-8(14)6-18;1-2-8-6-15-18-10(14)5-11(16-12(8)18)17-4-3-9(13)7-17/h1-3,5-6,11,13,15,21H,4,7,10,12,20H2;5-6,8-9,11,18H,2-4,7,17H2,1H3;3,5,7-8,19H,1-2,4,6,18H2;4-5,7-8,17H,1-3,6,16H2;7,9-10,16H,3,5-6,8,15H2,1H3;5,8H,2-4,6,14-15H2,1H3;5-6,9H,2-4,7,13-14H2,1H3/t;;;;;8-;9-/m.....00/s1
• InChIKey: HUYHGIZCXZQYKZ-FDBIPQROSA-N
• XLogP: 14.32
• TPSA: 525.03 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 41
• Rotatable Bonds: 12
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2249.71
LogP ≤ 5	14.32
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-chlorothiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(5-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-phenylethynyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-chlorothiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(5-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-phenylethynyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158595242) is 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-chlorothiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(5-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-phenylethynyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-chlorothiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(5-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-phenylethynyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-chlorothiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(5-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-phenylethynyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine is CC#Cc1cnn2c(N)cc(C3CCCNC3)nc12.CCc1cnn2c(N)c(Br)c(N3CC[C@H](N)C3)nc12.CCc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.Cc1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cs1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3ccsc3Cl)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3nccs3)cnn12.Nc1cc(C2CCCNC2)nc2c(C#Cc3ccccc3)cnn12.

What is the InChIKey of 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-chlorothiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(5-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-phenylethynyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is HUYHGIZCXZQYKZ-FDBIPQROSA-N. The full InChI is InChI=1S/C19H19N5.C16H19N5S.C15H15BrClN5S.C14H15BrN6S.C14H17N5.C12H17BrN6.C12H18N6/c20-18-11-17(15-7-4-10-21-12-15)23-19-16(13-22-24(18)19)9-8-14-5-2-1-3-6-14;1-10-5-12(9-22-10)13-8-19-21-15(17)6-14(20-16(13)21)11-3-2-4-18-7-11;16-11-12(8-2-1-4-19-6-8)21-15-10(7-20-22(15)14(11)18)9-3-5-23-13(9)17;15-10-11(8-2-1-3-17-6-8)20-13-9(14-18-4-5-22-14)7-19-21(13)12(10)16;1-2-4-11-9-17-19-13(15)7-12(18-14(11)19)10-5-3-6-16-8-10;1-2-7-5-16-19-10(15)9(13)12(17-11(7)19)18-4-3-8(14)6-18;1-2-8-6-15-18-10(14)5-11(16-12(8)18)17-4-3-9(13)7-17/h1-3,5-6,11,13,15,21H,4,7,10,12,20H2;5-6,8-9,11,18H,2-4,7,17H2,1H3;3,5,7-8,19H,1-2,4,6,18H2;4-5,7-8,17H,1-3,6,16H2;7,9-10,16H,3,5-6,8,15H2,1H3;5,8H,2-4,6,14-15H2,1H3;5-6,9H,2-4,7,13-14H2,1H3/t;;;;;8-;9-/m.....00/s1.

What are the key properties of 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-chlorothiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(5-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-phenylethynyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine?

5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-chlorothiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(5-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-phenylethynyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2249.71 g/mol, XLogP of 14.32, 12 rotatable bonds, 14 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-chlorothiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(5-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-phenylethynyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158595242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).