N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C107H112F8N32O11S4 — CID 158299407

About N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158299407) has the molecular formula C107H112F8N32O11S4 and a molecular weight of 2302.54 g/mol. Its IUPAC name is N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 158299407
• Molecular Formula: C107H112F8N32O11S4
• Molecular Weight: 2302.54 g/mol
• Exact Mass: 2300.79
• IUPAC Name: N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(C)Sc1ccc(OC(F)F)c(-c2nn(CCO)cc2NC(=O)c2cnn3cccnc23)c1.CC(C)Sc1ccc(OC(F)F)c(-c2nn(Cc3cn(C4CCN([C@@H]5CCOC5)CC4)nn3)cc2NC(=O)c2cnn3cccnc23)c1.CC(C)Sc1ccc(OC(F)F)c(-c2nn(Cc3cn(C4CCN([C@H]5CCOC5)CC4)nn3)cc2NC(=O)c2cnn3cccnc23)c1.O=C(Nc1cn[nH]c1-c1cc(SC2CCC2)ccc1OC(F)F)c1cnn2cccnc12
• InChI: InChI=1S/2C32H36F2N10O3S.C22H22F2N6O3S.C21H18F2N6O2S/c2*1-20(2)48-24-4-5-28(47-32(33)34)25(14-24)29-27(37-31(45)26-15-36-43-10-3-9-35-30(26)43)18-42(39-29)16-21-17-44(40-38-21)22-6-11-41(12-7-22)23-8-13-46-19-23;1-13(2)34-14-4-5-18(33-22(23)24)15(10-14)19-17(12-29(28-19)8-9-31)27-21(32)16-11-26-30-7-3-6-25-20(16)30;22-21(23)31-17-6-5-13(32-12-3-1-4-12)9-14(17)18-16(11-25-28-18)27-20(30)15-10-26-29-8-2-7-24-19(15)29/h2*3-5,9-10,14-15,17-18,20,22-23,32H,6-8,11-13,16,19H2,1-2H3,(H,37,45);3-7,10-13,22,31H,8-9H2,1-2H3,(H,27,32);2,5-12,21H,1,3-4H2,(H,25,28)(H,27,30)/t2*23-;;/m10../s1
• InChIKey: GMHWFVLLVBZVRA-MRMAFYIGSA-N
• XLogP: 18.58
• TPSA: 462.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 38
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2302.54
LogP ≤ 5	18.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158299407) is N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)Sc1ccc(OC(F)F)c(-c2nn(CCO)cc2NC(=O)c2cnn3cccnc23)c1.CC(C)Sc1ccc(OC(F)F)c(-c2nn(Cc3cn(C4CCN([C@@H]5CCOC5)CC4)nn3)cc2NC(=O)c2cnn3cccnc23)c1.CC(C)Sc1ccc(OC(F)F)c(-c2nn(Cc3cn(C4CCN([C@H]5CCOC5)CC4)nn3)cc2NC(=O)c2cnn3cccnc23)c1.O=C(Nc1cn[nH]c1-c1cc(SC2CCC2)ccc1OC(F)F)c1cnn2cccnc12.

What is the InChIKey of N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is GMHWFVLLVBZVRA-MRMAFYIGSA-N. The full InChI is InChI=1S/2C32H36F2N10O3S.C22H22F2N6O3S.C21H18F2N6O2S/c2*1-20(2)48-24-4-5-28(47-32(33)34)25(14-24)29-27(37-31(45)26-15-36-43-10-3-9-35-30(26)43)18-42(39-29)16-21-17-44(40-38-21)22-6-11-41(12-7-22)23-8-13-46-19-23;1-13(2)34-14-4-5-18(33-22(23)24)15(10-14)19-17(12-29(28-19)8-9-31)27-21(32)16-11-26-30-7-3-6-25-20(16)30;22-21(23)31-17-6-5-13(32-12-3-1-4-12)9-14(17)18-16(11-25-28-18)27-20(30)15-10-26-29-8-2-7-24-19(15)29/h2*3-5,9-10,14-15,17-18,20,22-23,32H,6-8,11-13,16,19H2,1-2H3,(H,37,45);3-7,10-13,22,31H,8-9H2,1-2H3,(H,27,32);2,5-12,21H,1,3-4H2,(H,25,28)(H,27,30)/t2*23-;;/m10../s1.

What are the key properties of N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2302.54 g/mol, XLogP of 18.58, 38 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-cyclobutylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-1-[[1-[1-[(3S)-oxolan-3-yl]piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158299407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).