5-ethynyl-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1,3-dimethyl-4-(2,4,6-trimethoxyphenyl)-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1-methyl-3-phenyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1-methyl-3-phenyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;methane

C102H91F6N19O9 — CID 167578003

About 5-ethynyl-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1,3-dimethyl-4-(2,4,6-trimethoxyphenyl)-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1-methyl-3-phenyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1-methyl-3-phenyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;methane

5-ethynyl-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1,3-dimethyl-4-(2,4,6-trimethoxyphenyl)-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1-methyl-3-phenyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1-methyl-3-phenyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;methane (PubChem CID 167578003) has the molecular formula C102H91F6N19O9 and a molecular weight of 1840.96 g/mol. Its IUPAC name is 5-ethynyl-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1,3-dimethyl-4-(2,4,6-trimethoxyphenyl)-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1-methyl-3-phenyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1-methyl-3-phenyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;methane.

Molecular Properties

• Compound Name: 5-ethynyl-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1,3-dimethyl-4-(2,4,6-trimethoxyphenyl)-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1-methyl-3-phenyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1-methyl-3-phenyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;methane
• PubChem CID: 167578003
• Molecular Formula: C102H91F6N19O9
• Molecular Weight: 1840.96 g/mol
• Exact Mass: 1839.72
• IUPAC Name: 5-ethynyl-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1,3-dimethyl-4-(2,4,6-trimethoxyphenyl)-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1-methyl-3-phenyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1-methyl-3-phenyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;methane
• SMILES: C.C#CC1=C(N)Oc2c(c(-c3ccccc3)nn2C)C1c1ccc(-n2ccnc2)cc1.C#CC1=C(N)Oc2c(c(-c3ccccc3)nn2C)C1c1ccc(OC(F)(F)F)cc1.C#CC1=C(N)Oc2c(c(C)nn2C)C1c1c(OC)cc(OC)cc1OC.C#CC1=C(N)Oc2c(c(C)nn2C)C1c1ccc(-n2ccnc2)cc1.C#CC1=C(N)Oc2c(c(C)nn2C)C1c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C24H19N5O.C22H16F3N3O2.C19H17N5O.C19H21N3O4.C17H14F3N3O.CH4/c1-3-19-20(16-9-11-18(12-10-16)29-14-13-26-15-29)21-22(17-7-5-4-6-8-17)27-28(2)24(21)30-23(19)25;1-3-16-17(13-9-11-15(12-10-13)30-22(23,24)25)18-19(14-7-5-4-6-8-14)27-28(2)21(18)29-20(16)26;1-4-15-17(16-12(2)22-23(3)19(16)25-18(15)20)13-5-7-14(8-6-13)24-10-9-21-11-24;1-7-12-16(15-10(2)21-22(3)19(15)26-18(12)20)17-13(24-5)8-11(23-4)9-14(17)25-6;1-4-12-14(10-5-7-11(8-6-10)17(18,19)20)13-9(2)22-23(3)16(13)24-15(12)21;/h1,4-15,20H,25H2,2H3;1,4-12,17H,26H2,2H3;1,5-11,17H,20H2,2-3H3;1,8-9,16H,20H2,2-6H3;1,5-8,14H,21H2,2-3H3;1H4
• InChIKey: GUGTZCXBEKIJRW-UHFFFAOYSA-N
• XLogP: 15.95
• TPSA: 337.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 13
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1840.96
LogP ≤ 5	15.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1,3-dimethyl-4-(2,4,6-trimethoxyphenyl)-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1-methyl-3-phenyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1-methyl-3-phenyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;methane?

The IUPAC name of 5-ethynyl-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1,3-dimethyl-4-(2,4,6-trimethoxyphenyl)-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1-methyl-3-phenyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1-methyl-3-phenyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;methane (CID 167578003) is 5-ethynyl-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1,3-dimethyl-4-(2,4,6-trimethoxyphenyl)-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1-methyl-3-phenyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1-methyl-3-phenyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;methane.

What is the SMILES notation for 5-ethynyl-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1,3-dimethyl-4-(2,4,6-trimethoxyphenyl)-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1-methyl-3-phenyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1-methyl-3-phenyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;methane?

The canonical SMILES for 5-ethynyl-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1,3-dimethyl-4-(2,4,6-trimethoxyphenyl)-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1-methyl-3-phenyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1-methyl-3-phenyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;methane is C.C#CC1=C(N)Oc2c(c(-c3ccccc3)nn2C)C1c1ccc(-n2ccnc2)cc1.C#CC1=C(N)Oc2c(c(-c3ccccc3)nn2C)C1c1ccc(OC(F)(F)F)cc1.C#CC1=C(N)Oc2c(c(C)nn2C)C1c1c(OC)cc(OC)cc1OC.C#CC1=C(N)Oc2c(c(C)nn2C)C1c1ccc(-n2ccnc2)cc1.C#CC1=C(N)Oc2c(c(C)nn2C)C1c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 5-ethynyl-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1,3-dimethyl-4-(2,4,6-trimethoxyphenyl)-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1-methyl-3-phenyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1-methyl-3-phenyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;methane?

The InChIKey is GUGTZCXBEKIJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O.C22H16F3N3O2.C19H17N5O.C19H21N3O4.C17H14F3N3O.CH4/c1-3-19-20(16-9-11-18(12-10-16)29-14-13-26-15-29)21-22(17-7-5-4-6-8-17)27-28(2)24(21)30-23(19)25;1-3-16-17(13-9-11-15(12-10-13)30-22(23,24)25)18-19(14-7-5-4-6-8-14)27-28(2)21(18)29-20(16)26;1-4-15-17(16-12(2)22-23(3)19(16)25-18(15)20)13-5-7-14(8-6-13)24-10-9-21-11-24;1-7-12-16(15-10(2)21-22(3)19(15)26-18(12)20)17-13(24-5)8-11(23-4)9-14(17)25-6;1-4-12-14(10-5-7-11(8-6-10)17(18,19)20)13-9(2)22-23(3)16(13)24-15(12)21;/h1,4-15,20H,25H2,2H3;1,4-12,17H,26H2,2H3;1,5-11,17H,20H2,2-3H3;1,8-9,16H,20H2,2-6H3;1,5-8,14H,21H2,2-3H3;1H4.

What are the key properties of 5-ethynyl-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1,3-dimethyl-4-(2,4,6-trimethoxyphenyl)-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1-methyl-3-phenyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1-methyl-3-phenyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;methane?

5-ethynyl-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1,3-dimethyl-4-(2,4,6-trimethoxyphenyl)-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1-methyl-3-phenyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1-methyl-3-phenyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;methane has a molecular weight of 1840.96 g/mol, XLogP of 15.95, 13 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethynyl-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1,3-dimethyl-4-(2,4,6-trimethoxyphenyl)-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1,3-dimethyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-4-(4-imidazol-1-ylphenyl)-1-methyl-3-phenyl-4H-pyrano[3,2-d]pyrazol-6-amine;5-ethynyl-1-methyl-3-phenyl-4-[4-(trifluoromethoxy)phenyl]-4H-pyrano[3,2-d]pyrazol-6-amine;methane is sourced from PubChem (CID 167578003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).