tert-butyl 2-amino-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-O-tert-butyl 2-O-methyl 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2,4-dicarboxylate;tert-butyl 2-(phenylmethoxycarbonylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C79H102N22O20 — CID 162205754

About tert-butyl 2-amino-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-O-tert-butyl 2-O-methyl 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2,4-dicarboxylate;tert-butyl 2-(phenylmethoxycarbonylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

tert-butyl 2-amino-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-O-tert-butyl 2-O-methyl 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2,4-dicarboxylate;tert-butyl 2-(phenylmethoxycarbonylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 162205754) has the molecular formula C79H102N22O20 and a molecular weight of 1679.82 g/mol. Its IUPAC name is tert-butyl 2-amino-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-O-tert-butyl 2-O-methyl 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2,4-dicarboxylate;tert-butyl 2-(phenylmethoxycarbonylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl 2-amino-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-O-tert-butyl 2-O-methyl 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2,4-dicarboxylate;tert-butyl 2-(phenylmethoxycarbonylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
• PubChem CID: 162205754
• Molecular Formula: C79H102N22O20
• Molecular Weight: 1679.82 g/mol
• Exact Mass: 1678.76
• IUPAC Name: tert-butyl 2-amino-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-O-tert-butyl 2-O-methyl 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2,4-dicarboxylate;tert-butyl 2-(phenylmethoxycarbonylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N1CCCn2nc(C(=O)O)cc21.CC(C)(C)OC(=O)N1CCCn2nc(N)cc21.CC(C)(C)OC(=O)N1CCCn2nc(NC(=O)OCc3ccccc3)cc21.COC(=O)c1cc2n(n1)CCCC2.COC(=O)c1cc2n(n1)CCCN2C(=O)OC(C)(C)C.COC(=O)c1cc2ncccn2n1.O=C(O)c1cc2ncccn2n1
• InChI: InChI=1S/C19H24N4O4.C13H19N3O4.C12H17N3O4.C11H18N4O2.C9H12N2O2.C8H7N3O2.C7H5N3O2/c1-19(2,3)27-18(25)22-10-7-11-23-16(22)12-15(21-23)20-17(24)26-13-14-8-5-4-6-9-14;1-13(2,3)20-12(18)15-6-5-7-16-10(15)8-9(14-16)11(17)19-4;1-12(2,3)19-11(18)14-5-4-6-15-9(14)7-8(13-15)10(16)17;1-11(2,3)17-10(16)14-5-4-6-15-9(14)7-8(12)13-15;1-13-9(12)8-6-7-4-2-3-5-11(7)10-8;1-13-8(12)6-5-7-9-3-2-4-11(7)10-6;11-7(12)5-4-6-8-2-1-3-10(6)9-5/h4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,20,21,24);8H,5-7H2,1-4H3;7H,4-6H2,1-3H3,(H,16,17);7H,4-6H2,1-3H3,(H2,12,13);6H,2-5H2,1H3;2-5H,1H3;1-4H,(H,11,12)
• InChIKey: ZSDZNDMYMBXQKJ-UHFFFAOYSA-N
• XLogP: 10.88
• TPSA: 485.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 8
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1679.82
LogP ≤ 5	10.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-O-tert-butyl 2-O-methyl 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2,4-dicarboxylate;tert-butyl 2-(phenylmethoxycarbonylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?

The IUPAC name of tert-butyl 2-amino-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-O-tert-butyl 2-O-methyl 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2,4-dicarboxylate;tert-butyl 2-(phenylmethoxycarbonylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 162205754) is tert-butyl 2-amino-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-O-tert-butyl 2-O-methyl 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2,4-dicarboxylate;tert-butyl 2-(phenylmethoxycarbonylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

What is the SMILES notation for tert-butyl 2-amino-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-O-tert-butyl 2-O-methyl 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2,4-dicarboxylate;tert-butyl 2-(phenylmethoxycarbonylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?

The canonical SMILES for tert-butyl 2-amino-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-O-tert-butyl 2-O-methyl 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2,4-dicarboxylate;tert-butyl 2-(phenylmethoxycarbonylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCCn2nc(C(=O)O)cc21.CC(C)(C)OC(=O)N1CCCn2nc(N)cc21.CC(C)(C)OC(=O)N1CCCn2nc(NC(=O)OCc3ccccc3)cc21.COC(=O)c1cc2n(n1)CCCC2.COC(=O)c1cc2n(n1)CCCN2C(=O)OC(C)(C)C.COC(=O)c1cc2ncccn2n1.O=C(O)c1cc2ncccn2n1.

What is the InChIKey of tert-butyl 2-amino-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-O-tert-butyl 2-O-methyl 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2,4-dicarboxylate;tert-butyl 2-(phenylmethoxycarbonylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?

The InChIKey is ZSDZNDMYMBXQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4.C13H19N3O4.C12H17N3O4.C11H18N4O2.C9H12N2O2.C8H7N3O2.C7H5N3O2/c1-19(2,3)27-18(25)22-10-7-11-23-16(22)12-15(21-23)20-17(24)26-13-14-8-5-4-6-9-14;1-13(2,3)20-12(18)15-6-5-7-16-10(15)8-9(14-16)11(17)19-4;1-12(2,3)19-11(18)14-5-4-6-15-9(14)7-8(13-15)10(16)17;1-11(2,3)17-10(16)14-5-4-6-15-9(14)7-8(12)13-15;1-13-9(12)8-6-7-4-2-3-5-11(7)10-8;1-13-8(12)6-5-7-9-3-2-4-11(7)10-6;11-7(12)5-4-6-8-2-1-3-10(6)9-5/h4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,20,21,24);8H,5-7H2,1-4H3;7H,4-6H2,1-3H3,(H,16,17);7H,4-6H2,1-3H3,(H2,12,13);6H,2-5H2,1H3;2-5H,1H3;1-4H,(H,11,12).

What are the key properties of tert-butyl 2-amino-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-O-tert-butyl 2-O-methyl 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2,4-dicarboxylate;tert-butyl 2-(phenylmethoxycarbonylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?

tert-butyl 2-amino-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-O-tert-butyl 2-O-methyl 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2,4-dicarboxylate;tert-butyl 2-(phenylmethoxycarbonylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 1679.82 g/mol, XLogP of 10.88, 8 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-amino-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-O-tert-butyl 2-O-methyl 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2,4-dicarboxylate;tert-butyl 2-(phenylmethoxycarbonylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl pyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 162205754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).