1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-isocyano-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C104H126F3N43O2S — CID 161083183

About 1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-isocyano-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-isocyano-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 161083183) has the molecular formula C104H126F3N43O2S and a molecular weight of 2099.51 g/mol. Its IUPAC name is 1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-isocyano-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-isocyano-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 161083183
• Molecular Formula: C104H126F3N43O2S
• Molecular Weight: 2099.51 g/mol
• Exact Mass: 2098.08
• IUPAC Name: 1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-isocyano-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CC(=O)c1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N.CCc1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N.COC/C=C/c1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N.Cn1cc(-c2cnn3c(N)c(-c4cccs4)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(C(F)(F)F)c(C4CCCNC4)nc23)cn1.[C-]#[N+]c1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N
• InChI: InChI=1S/C19H25N7O.C19H21N7S.C17H21N7O.C17H23N7.C16H18F3N7.C16H18N8/c1-25-12-14(10-22-25)16-11-23-26-18(20)15(6-4-8-27-2)17(24-19(16)26)13-5-3-7-21-9-13;1-25-11-13(9-22-25)14-10-23-26-18(20)16(15-5-3-7-27-15)17(24-19(14)26)12-4-2-6-21-8-12;1-10(25)14-15(11-4-3-5-19-6-11)22-17-13(8-21-24(17)16(14)18)12-7-20-23(2)9-12;1-3-13-15(11-5-4-6-19-7-11)22-17-14(9-21-24(17)16(13)18)12-8-20-23(2)10-12;1-25-8-10(6-22-25)11-7-23-26-14(20)12(16(17,18)19)13(24-15(11)26)9-3-2-4-21-5-9;1-18-14-13(10-4-3-5-19-6-10)22-16-12(8-21-24(16)15(14)17)11-7-20-23(2)9-11/h4,6,10-13,21H,3,5,7-9,20H2,1-2H3;3,5,7,9-12,21H,2,4,6,8,20H2,1H3;7-9,11,19H,3-6,18H2,1-2H3;8-11,19H,3-7,18H2,1-2H3;6-9,21H,2-5,20H2,1H3;7-10,19H,3-6,17H2,2H3/b6-4+
• InChIKey: UGEBBNQMPNQCGP-AJORROCWSA-N
• XLogP: 11.80
• TPSA: 547.02 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 45
• Rotatable Bonds: 18
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2099.51
LogP ≤ 5	11.80
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-isocyano-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-isocyano-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 161083183) is 1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-isocyano-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-isocyano-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-isocyano-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(=O)c1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N.CCc1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N.COC/C=C/c1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N.Cn1cc(-c2cnn3c(N)c(-c4cccs4)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(C(F)(F)F)c(C4CCCNC4)nc23)cn1.[C-]#[N+]c1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N.

What is the InChIKey of 1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-isocyano-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is UGEBBNQMPNQCGP-AJORROCWSA-N. The full InChI is InChI=1S/C19H25N7O.C19H21N7S.C17H21N7O.C17H23N7.C16H18F3N7.C16H18N8/c1-25-12-14(10-22-25)16-11-23-26-18(20)15(6-4-8-27-2)17(24-19(16)26)13-5-3-7-21-9-13;1-25-11-13(9-22-25)14-10-23-26-18(20)16(15-5-3-7-27-15)17(24-19(14)26)12-4-2-6-21-8-12;1-10(25)14-15(11-4-3-5-19-6-11)22-17-13(8-21-24(17)16(14)18)12-7-20-23(2)9-12;1-3-13-15(11-5-4-6-19-7-11)22-17-14(9-21-24(17)16(13)18)12-8-20-23(2)10-12;1-25-8-10(6-22-25)11-7-23-26-14(20)12(16(17,18)19)13(24-15(11)26)9-3-2-4-21-5-9;1-18-14-13(10-4-3-5-19-6-10)22-16-12(8-21-24(16)15(14)17)11-7-20-23(2)9-11/h4,6,10-13,21H,3,5,7-9,20H2,1-2H3;3,5,7,9-12,21H,2,4,6,8,20H2,1H3;7-9,11,19H,3-6,18H2,1-2H3;8-11,19H,3-7,18H2,1-2H3;6-9,21H,2-5,20H2,1H3;7-10,19H,3-6,17H2,2H3/b6-4+;;;;;.

What are the key properties of 1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-isocyano-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?

1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-isocyano-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2099.51 g/mol, XLogP of 11.80, 18 rotatable bonds, 12 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-isocyano-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 161083183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).