2-(3-chloro-5-ethoxy-4-fluorophenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3,5-dimethoxy-4-methylphenyl)-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[3,5-dimethoxy-4-(2-methylpropyl)phenyl]-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-ethoxy-4,5-dimethylphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;methane

C105H148ClFN20O14 — CID 167569489

About 2-(3-chloro-5-ethoxy-4-fluorophenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3,5-dimethoxy-4-methylphenyl)-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[3,5-dimethoxy-4-(2-methylpropyl)phenyl]-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-ethoxy-4,5-dimethylphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;methane

2-(3-chloro-5-ethoxy-4-fluorophenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3,5-dimethoxy-4-methylphenyl)-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[3,5-dimethoxy-4-(2-methylpropyl)phenyl]-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-ethoxy-4,5-dimethylphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;methane (PubChem CID 167569489) has the molecular formula C105H148ClFN20O14 and a molecular weight of 1968.92 g/mol. Its IUPAC name is 2-(3-chloro-5-ethoxy-4-fluorophenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3,5-dimethoxy-4-methylphenyl)-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[3,5-dimethoxy-4-(2-methylpropyl)phenyl]-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-ethoxy-4,5-dimethylphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;methane.

Molecular Properties

• Compound Name: 2-(3-chloro-5-ethoxy-4-fluorophenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3,5-dimethoxy-4-methylphenyl)-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[3,5-dimethoxy-4-(2-methylpropyl)phenyl]-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-ethoxy-4,5-dimethylphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;methane
• PubChem CID: 167569489
• Molecular Formula: C105H148ClFN20O14
• Molecular Weight: 1968.92 g/mol
• Exact Mass: 1967.12
• IUPAC Name: 2-(3-chloro-5-ethoxy-4-fluorophenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3,5-dimethoxy-4-methylphenyl)-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[3,5-dimethoxy-4-(2-methylpropyl)phenyl]-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-ethoxy-4,5-dimethylphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;methane
• SMILES: C.C.C.C.C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(C)c(C)c(OCC)c4)nn32)CC1.C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(Cl)c(F)c(OCC)c4)nn32)CC1.C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(C)c(OC)c4)nn32)CC1C.C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(CC(C)C)c(OC)c4)nn32)CC1C
• InChI: InChI=1S/C28H39N5O4.C25H33N5O4.C25H33N5O3.C23H27ClFN5O3.4CH4/c1-7-24(34)32-11-9-18(13-17(32)4)21-8-10-30-28-25(27(29)35)26(31-33(21)28)19-14-22(36-5)20(12-16(2)3)23(15-19)37-6;1-6-21(31)29-10-8-16(11-14(29)2)18-7-9-27-25-22(24(26)32)23(28-30(18)25)17-12-19(33-4)15(3)20(13-17)34-5;1-5-21(31)29-11-8-17(9-12-29)19-7-10-27-25-22(24(26)32)23(28-30(19)25)18-13-15(3)16(4)20(14-18)33-6-2;1-3-18(31)29-9-6-13(7-10-29)16-5-8-27-23-19(22(26)32)21(28-30(16)23)14-11-15(24)20(25)17(12-14)33-4-2;;;;/h7,14-18,21,30H,1,8-13H2,2-6H3,(H2,29,35);6,12-14,16,18,27H,1,7-11H2,2-5H3,(H2,26,32);5,13-14,17,19,27H,1,6-12H2,2-4H3,(H2,26,32);3,11-13,16,27H,1,4-10H2,2H3,(H2,26,32);4*1H4
• InChIKey: FSHLSJFVPPVMAQ-UHFFFAOYSA-N
• XLogP: 16.79
• TPSA: 428.38 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1968.92
LogP ≤ 5	16.79
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-ethoxy-4-fluorophenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3,5-dimethoxy-4-methylphenyl)-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[3,5-dimethoxy-4-(2-methylpropyl)phenyl]-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-ethoxy-4,5-dimethylphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;methane?

The IUPAC name of 2-(3-chloro-5-ethoxy-4-fluorophenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3,5-dimethoxy-4-methylphenyl)-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[3,5-dimethoxy-4-(2-methylpropyl)phenyl]-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-ethoxy-4,5-dimethylphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;methane (CID 167569489) is 2-(3-chloro-5-ethoxy-4-fluorophenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3,5-dimethoxy-4-methylphenyl)-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[3,5-dimethoxy-4-(2-methylpropyl)phenyl]-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-ethoxy-4,5-dimethylphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;methane.

What is the SMILES notation for 2-(3-chloro-5-ethoxy-4-fluorophenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3,5-dimethoxy-4-methylphenyl)-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[3,5-dimethoxy-4-(2-methylpropyl)phenyl]-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-ethoxy-4,5-dimethylphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;methane?

The canonical SMILES for 2-(3-chloro-5-ethoxy-4-fluorophenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3,5-dimethoxy-4-methylphenyl)-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[3,5-dimethoxy-4-(2-methylpropyl)phenyl]-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-ethoxy-4,5-dimethylphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;methane is C.C.C.C.C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(C)c(C)c(OCC)c4)nn32)CC1.C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(Cl)c(F)c(OCC)c4)nn32)CC1.C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(C)c(OC)c4)nn32)CC1C.C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(CC(C)C)c(OC)c4)nn32)CC1C.

What is the InChIKey of 2-(3-chloro-5-ethoxy-4-fluorophenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3,5-dimethoxy-4-methylphenyl)-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[3,5-dimethoxy-4-(2-methylpropyl)phenyl]-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-ethoxy-4,5-dimethylphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;methane?

The InChIKey is FSHLSJFVPPVMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O4.C25H33N5O4.C25H33N5O3.C23H27ClFN5O3.4CH4/c1-7-24(34)32-11-9-18(13-17(32)4)21-8-10-30-28-25(27(29)35)26(31-33(21)28)19-14-22(36-5)20(12-16(2)3)23(15-19)37-6;1-6-21(31)29-10-8-16(11-14(29)2)18-7-9-27-25-22(24(26)32)23(28-30(18)25)17-12-19(33-4)15(3)20(13-17)34-5;1-5-21(31)29-11-8-17(9-12-29)19-7-10-27-25-22(24(26)32)23(28-30(19)25)18-13-15(3)16(4)20(14-18)33-6-2;1-3-18(31)29-9-6-13(7-10-29)16-5-8-27-23-19(22(26)32)21(28-30(16)23)14-11-15(24)20(25)17(12-14)33-4-2;;;;/h7,14-18,21,30H,1,8-13H2,2-6H3,(H2,29,35);6,12-14,16,18,27H,1,7-11H2,2-5H3,(H2,26,32);5,13-14,17,19,27H,1,6-12H2,2-4H3,(H2,26,32);3,11-13,16,27H,1,4-10H2,2H3,(H2,26,32);4*1H4.

What are the key properties of 2-(3-chloro-5-ethoxy-4-fluorophenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3,5-dimethoxy-4-methylphenyl)-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[3,5-dimethoxy-4-(2-methylpropyl)phenyl]-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-ethoxy-4,5-dimethylphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;methane?

2-(3-chloro-5-ethoxy-4-fluorophenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3,5-dimethoxy-4-methylphenyl)-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[3,5-dimethoxy-4-(2-methylpropyl)phenyl]-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-ethoxy-4,5-dimethylphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;methane has a molecular weight of 1968.92 g/mol, XLogP of 16.79, 26 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-5-ethoxy-4-fluorophenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3,5-dimethoxy-4-methylphenyl)-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-[3,5-dimethoxy-4-(2-methylpropyl)phenyl]-7-(2-methyl-1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-ethoxy-4,5-dimethylphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;methane is sourced from PubChem (CID 167569489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).