7-(1-but-2-ynoylpiperidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-methoxy-4-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[2-(prop-2-enoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C75H73F4N15O8 — CID 159503133

About 7-(1-but-2-ynoylpiperidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-methoxy-4-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[2-(prop-2-enoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(1-but-2-ynoylpiperidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-methoxy-4-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[2-(prop-2-enoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159503133) has the molecular formula C75H73F4N15O8 and a molecular weight of 1388.50 g/mol. Its IUPAC name is 7-(1-but-2-ynoylpiperidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-methoxy-4-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[2-(prop-2-enoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(1-but-2-ynoylpiperidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-methoxy-4-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[2-(prop-2-enoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 159503133
• Molecular Formula: C75H73F4N15O8
• Molecular Weight: 1388.50 g/mol
• Exact Mass: 1387.57
• IUPAC Name: 7-(1-but-2-ynoylpiperidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-methoxy-4-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[2-(prop-2-enoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: C=CC(=O)Nc1ccccc1C1CCNc2c(C(N)=O)c(-c3ccc(C(F)(F)F)cc3)nn21.C=CC(=O)Nc1ccccc1C1CCNc2c(C(N)=O)c(-c3ccc(C)c(OC)c3)nn21.CC#CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5)cc4)nn32)CC1
• InChI: InChI=1S/C28H28FN5O3.C24H25N5O3.C23H20F3N5O2/c1-2-3-24(35)33-16-13-18(14-17-33)23-12-15-31-28-25(27(30)36)26(32-34(23)28)19-4-8-21(9-5-19)37-22-10-6-20(29)7-11-22;1-4-20(30)27-17-8-6-5-7-16(17)18-11-12-26-24-21(23(25)31)22(28-29(18)24)15-10-9-14(2)19(13-15)32-3;1-2-18(32)29-16-6-4-3-5-15(16)17-11-12-28-22-19(21(27)33)20(30-31(17)22)13-7-9-14(10-8-13)23(24,25)26/h4-11,18,23,31H,12-17H2,1H3,(H2,30,36);4-10,13,18,26H,1,11-12H2,2-3H3,(H2,25,31)(H,27,30);2-10,17,28H,1,11-12H2,(H2,27,33)(H,29,32)
• InChIKey: LZQJOSOOXMENFV-UHFFFAOYSA-N
• XLogP: 11.89
• TPSA: 315.79 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1388.50
LogP ≤ 5	11.89
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(1-but-2-ynoylpiperidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-methoxy-4-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[2-(prop-2-enoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 7-(1-but-2-ynoylpiperidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-methoxy-4-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[2-(prop-2-enoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159503133) is 7-(1-but-2-ynoylpiperidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-methoxy-4-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[2-(prop-2-enoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 7-(1-but-2-ynoylpiperidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-methoxy-4-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[2-(prop-2-enoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 7-(1-but-2-ynoylpiperidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-methoxy-4-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[2-(prop-2-enoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is C=CC(=O)Nc1ccccc1C1CCNc2c(C(N)=O)c(-c3ccc(C(F)(F)F)cc3)nn21.C=CC(=O)Nc1ccccc1C1CCNc2c(C(N)=O)c(-c3ccc(C)c(OC)c3)nn21.CC#CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5)cc4)nn32)CC1.

What is the InChIKey of 7-(1-but-2-ynoylpiperidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-methoxy-4-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[2-(prop-2-enoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is LZQJOSOOXMENFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O3.C24H25N5O3.C23H20F3N5O2/c1-2-3-24(35)33-16-13-18(14-17-33)23-12-15-31-28-25(27(30)36)26(32-34(23)28)19-4-8-21(9-5-19)37-22-10-6-20(29)7-11-22;1-4-20(30)27-17-8-6-5-7-16(17)18-11-12-26-24-21(23(25)31)22(28-29(18)24)15-10-9-14(2)19(13-15)32-3;1-2-18(32)29-16-6-4-3-5-15(16)17-11-12-28-22-19(21(27)33)20(30-31(17)22)13-7-9-14(10-8-13)23(24,25)26/h4-11,18,23,31H,12-17H2,1H3,(H2,30,36);4-10,13,18,26H,1,11-12H2,2-3H3,(H2,25,31)(H,27,30);2-10,17,28H,1,11-12H2,(H2,27,33)(H,29,32).

What are the key properties of 7-(1-but-2-ynoylpiperidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-methoxy-4-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[2-(prop-2-enoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

7-(1-but-2-ynoylpiperidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-methoxy-4-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[2-(prop-2-enoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1388.50 g/mol, XLogP of 11.89, 16 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1-but-2-ynoylpiperidin-4-yl)-2-[4-(4-fluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(3-methoxy-4-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[2-(prop-2-enoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159503133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).