6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,3-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine

C99H124BrClN30 — CID 157432941

About 6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,3-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,3-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 157432941) has the molecular formula C99H124BrClN30 and a molecular weight of 1849.65 g/mol. Its IUPAC name is 6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,3-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,3-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 157432941
• Molecular Formula: C99H124BrClN30
• Molecular Weight: 1849.65 g/mol
• Exact Mass: 1846.95
• IUPAC Name: 6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,3-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: C.C.C.C/C=C/c1cnn2c(N)cc(C3CCCNC3)nc12.Nc1c(Br)c(C2CCCNC2)nc2c(C3=CCC=C3)cnn12.Nc1c(Cl)c(C2CCCNC2)nc2c(-c3ccccc3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3ccccc3)cnn12.Nc1cc(C2CCCNC2)nc2c(C3=CC=CC3)cnn12.Nc1cc(C2CCCNC2)nc2c(C3=CCC=C3)cnn12
• InChI: InChI=1S/C17H18ClN5.C17H19N5.C16H18BrN5.2C16H19N5.C14H19N5.3CH4/c18-14-15(12-7-4-8-20-9-12)22-17-13(10-21-23(17)16(14)19)11-5-2-1-3-6-11;18-16-9-15(13-7-4-8-19-10-13)21-17-14(11-20-22(16)17)12-5-2-1-3-6-12;17-13-14(11-6-3-7-19-8-11)21-16-12(10-4-1-2-5-10)9-20-22(16)15(13)18;2*17-15-8-14(12-6-3-7-18-9-12)20-16-13(10-19-21(15)16)11-4-1-2-5-11;1-2-4-11-9-17-19-13(15)7-12(18-14(11)19)10-5-3-6-16-8-10;;;/h1-3,5-6,10,12,20H,4,7-9,19H2;1-3,5-6,9,11,13,19H,4,7-8,10,18H2;1,4-5,9,11,19H,2-3,6-8,18H2;1,4-5,8,10,12,18H,2-3,6-7,9,17H2;1-2,4,8,10,12,18H,3,5-7,9,17H2;2,4,7,9-10,16H,3,5-6,8,15H2,1H3;3*1H4/b;;;;;4-2+
• InChIKey: BQTLGCOHRYCHNV-PQKJSRRXSA-N
• XLogP: 16.39
• TPSA: 409.44 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 12
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1849.65
LogP ≤ 5	16.39
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,3-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,3-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 157432941) is 6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,3-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,3-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,3-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine is C.C.C.C/C=C/c1cnn2c(N)cc(C3CCCNC3)nc12.Nc1c(Br)c(C2CCCNC2)nc2c(C3=CCC=C3)cnn12.Nc1c(Cl)c(C2CCCNC2)nc2c(-c3ccccc3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3ccccc3)cnn12.Nc1cc(C2CCCNC2)nc2c(C3=CC=CC3)cnn12.Nc1cc(C2CCCNC2)nc2c(C3=CCC=C3)cnn12.

What is the InChIKey of 6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,3-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is BQTLGCOHRYCHNV-PQKJSRRXSA-N. The full InChI is InChI=1S/C17H18ClN5.C17H19N5.C16H18BrN5.2C16H19N5.C14H19N5.3CH4/c18-14-15(12-7-4-8-20-9-12)22-17-13(10-21-23(17)16(14)19)11-5-2-1-3-6-11;18-16-9-15(13-7-4-8-19-10-13)21-17-14(11-20-22(16)17)12-5-2-1-3-6-12;17-13-14(11-6-3-7-19-8-11)21-16-12(10-4-1-2-5-10)9-20-22(16)15(13)18;2*17-15-8-14(12-6-3-7-18-9-12)20-16-13(10-19-21(15)16)11-4-1-2-5-11;1-2-4-11-9-17-19-13(15)7-12(18-14(11)19)10-5-3-6-16-8-10;;;/h1-3,5-6,10,12,20H,4,7-9,19H2;1-3,5-6,9,11,13,19H,4,7-8,10,18H2;1,4-5,9,11,19H,2-3,6-8,18H2;1,4-5,8,10,12,18H,2-3,6-7,9,17H2;1-2,4,8,10,12,18H,3,5-7,9,17H2;2,4,7,9-10,16H,3,5-6,8,15H2,1H3;3*1H4/b;;;;;4-2+;;;.

What are the key properties of 6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,3-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine?

6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,3-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1849.65 g/mol, XLogP of 16.39, 12 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,3-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane;3-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(E)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 157432941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).