N-[3-[5-butylsulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2R)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(2-methyl-1H-isoquinolin-7-yl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C101H95F8N31O16S4 — CID 167683726

About N-[3-[5-butylsulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2R)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(2-methyl-1H-isoquinolin-7-yl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[5-butylsulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2R)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(2-methyl-1H-isoquinolin-7-yl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167683726) has the molecular formula C101H95F8N31O16S4 and a molecular weight of 2279.32 g/mol. Its IUPAC name is N-[3-[5-butylsulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2R)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(2-methyl-1H-isoquinolin-7-yl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-butylsulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2R)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(2-methyl-1H-isoquinolin-7-yl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 167683726
• Molecular Formula: C101H95F8N31O16S4
• Molecular Weight: 2279.32 g/mol
• Exact Mass: 2277.63
• IUPAC Name: N-[3-[5-butylsulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2R)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(2-methyl-1H-isoquinolin-7-yl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCCCS(=O)(=O)c1ccc(OC(F)F)c(-c2nn(C)cc2NC(=O)c2cnn3cccnc23)c1.CN1C=Cc2ccc(S(=O)(=O)c3ccc(OC(F)F)c(-c4nn(C)cc4NC(=O)c4cnn5cccnc45)c3)cc2C1.CN1CC(n2cc(S(=O)(=O)c3ccc(OC(F)F)c(-c4nn(C)cc4NC(=O)c4cnn5cccnc45)c3)cn2)C1.C[C@H](Cn1cc(S(=O)(=O)c2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)cn1)N(C)C
• InChI: InChI=1S/C28H23F2N7O4S.C26H27F2N9O4S.C25H23F2N9O4S.C22H22F2N6O4S/c1-35-11-8-17-4-5-19(12-18(17)15-35)42(39,40)20-6-7-24(41-28(29)30)21(13-20)25-23(16-36(2)34-25)33-27(38)22-14-32-37-10-3-9-31-26(22)37;1-16(34(2)3)13-36-14-18(11-30-36)42(39,40)17-6-7-22(41-26(27)28)19(10-17)23-21(15-35(4)33-23)32-25(38)20-12-31-37-9-5-8-29-24(20)37;1-33-11-15(12-33)36-13-17(9-29-36)41(38,39)16-4-5-21(40-25(26)27)18(8-16)22-20(14-34(2)32-22)31-24(37)19-10-30-35-7-3-6-28-23(19)35;1-3-4-10-35(32,33)14-6-7-18(34-22(23)24)15(11-14)19-17(13-29(2)28-19)27-21(31)16-12-26-30-9-5-8-25-20(16)30/h3-14,16,28H,15H2,1-2H3,(H,33,38);5-12,14-16,26H,13H2,1-4H3,(H,32,38);3-10,13-15,25H,11-12H2,1-2H3,(H,31,37);5-9,11-13,22H,3-4,10H2,1-2H3,(H,27,31)/t;16-;;/m.1../s1
• InChIKey: VXHGIAUKZJQIBV-WMVBMBIMSA-N
• XLogP: 13.25
• TPSA: 527.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 43
• Rotatable Bonds: 34
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2279.32
LogP ≤ 5	13.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-butylsulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2R)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(2-methyl-1H-isoquinolin-7-yl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[5-butylsulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2R)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(2-methyl-1H-isoquinolin-7-yl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167683726) is N-[3-[5-butylsulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2R)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(2-methyl-1H-isoquinolin-7-yl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[5-butylsulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2R)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(2-methyl-1H-isoquinolin-7-yl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[5-butylsulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2R)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(2-methyl-1H-isoquinolin-7-yl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCCS(=O)(=O)c1ccc(OC(F)F)c(-c2nn(C)cc2NC(=O)c2cnn3cccnc23)c1.CN1C=Cc2ccc(S(=O)(=O)c3ccc(OC(F)F)c(-c4nn(C)cc4NC(=O)c4cnn5cccnc45)c3)cc2C1.CN1CC(n2cc(S(=O)(=O)c3ccc(OC(F)F)c(-c4nn(C)cc4NC(=O)c4cnn5cccnc45)c3)cn2)C1.C[C@H](Cn1cc(S(=O)(=O)c2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)cn1)N(C)C.

What is the InChIKey of N-[3-[5-butylsulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2R)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(2-methyl-1H-isoquinolin-7-yl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is VXHGIAUKZJQIBV-WMVBMBIMSA-N. The full InChI is InChI=1S/C28H23F2N7O4S.C26H27F2N9O4S.C25H23F2N9O4S.C22H22F2N6O4S/c1-35-11-8-17-4-5-19(12-18(17)15-35)42(39,40)20-6-7-24(41-28(29)30)21(13-20)25-23(16-36(2)34-25)33-27(38)22-14-32-37-10-3-9-31-26(22)37;1-16(34(2)3)13-36-14-18(11-30-36)42(39,40)17-6-7-22(41-26(27)28)19(10-17)23-21(15-35(4)33-23)32-25(38)20-12-31-37-9-5-8-29-24(20)37;1-33-11-15(12-33)36-13-17(9-29-36)41(38,39)16-4-5-21(40-25(26)27)18(8-16)22-20(14-34(2)32-22)31-24(37)19-10-30-35-7-3-6-28-23(19)35;1-3-4-10-35(32,33)14-6-7-18(34-22(23)24)15(11-14)19-17(13-29(2)28-19)27-21(31)16-12-26-30-9-5-8-25-20(16)30/h3-14,16,28H,15H2,1-2H3,(H,33,38);5-12,14-16,26H,13H2,1-4H3,(H,32,38);3-10,13-15,25H,11-12H2,1-2H3,(H,31,37);5-9,11-13,22H,3-4,10H2,1-2H3,(H,27,31)/t;16-;;/m.1../s1.

What are the key properties of N-[3-[5-butylsulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2R)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(2-methyl-1H-isoquinolin-7-yl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[5-butylsulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2R)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(2-methyl-1H-isoquinolin-7-yl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2279.32 g/mol, XLogP of 13.25, 34 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-butylsulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-[(2R)-2-(dimethylamino)propyl]pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[(2-methyl-1H-isoquinolin-7-yl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167683726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).