5-(4-cyanophenyl)-1-cyclopropylpyrazole-3-carboxylic acid;4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol

C48H48F6N12O5 — CID 161188525

About 5-(4-cyanophenyl)-1-cyclopropylpyrazole-3-carboxylic acid;4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol

5-(4-cyanophenyl)-1-cyclopropylpyrazole-3-carboxylic acid;4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol (PubChem CID 161188525) has the molecular formula C48H48F6N12O5 and a molecular weight of 986.98 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-1-cyclopropylpyrazole-3-carboxylic acid;4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol.

Molecular Properties

• Compound Name: 5-(4-cyanophenyl)-1-cyclopropylpyrazole-3-carboxylic acid;4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol
• PubChem CID: 161188525
• Molecular Formula: C48H48F6N12O5
• Molecular Weight: 986.98 g/mol
• Exact Mass: 986.38
• IUPAC Name: 5-(4-cyanophenyl)-1-cyclopropylpyrazole-3-carboxylic acid;4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol
• SMILES: C[C@H]1CN(C(=O)c2cc(-c3ccc(C#N)cc3)n(C3CC3)n2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.C[C@H]1CNCc2cnc([C@@](C)(O)C(F)(F)F)n21.N#Cc1ccc(-c2cc(C(=O)O)nn2C2CC2)cc1
• InChI: InChI=1S/C24H23F3N6O2.C14H11N3O2.C10H14F3N3O/c1-14-12-31(13-18-11-29-22(32(14)18)23(2,35)24(25,26)27)21(34)19-9-20(33(30-19)17-7-8-17)16-5-3-15(10-28)4-6-16;15-8-9-1-3-10(4-2-9)13-7-12(14(18)19)16-17(13)11-5-6-11;1-6-3-14-4-7-5-15-8(16(6)7)9(2,17)10(11,12)13/h3-6,9,11,14,17,35H,7-8,12-13H2,1-2H3;1-4,7,11H,5-6H2,(H,18,19);5-6,14,17H,3-4H2,1-2H3/t14-,23+;;6-,9+/m0.0/s1
• InChIKey: UTKFIWJUUCRCNW-ZVJPSTRYSA-N
• XLogP: 7.71
• TPSA: 228.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	986.98
LogP ≤ 5	7.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-1-cyclopropylpyrazole-3-carboxylic acid;4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol?

The IUPAC name of 5-(4-cyanophenyl)-1-cyclopropylpyrazole-3-carboxylic acid;4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol (CID 161188525) is 5-(4-cyanophenyl)-1-cyclopropylpyrazole-3-carboxylic acid;4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol.

What is the SMILES notation for 5-(4-cyanophenyl)-1-cyclopropylpyrazole-3-carboxylic acid;4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol?

The canonical SMILES for 5-(4-cyanophenyl)-1-cyclopropylpyrazole-3-carboxylic acid;4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol is C[C@H]1CN(C(=O)c2cc(-c3ccc(C#N)cc3)n(C3CC3)n2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.C[C@H]1CNCc2cnc([C@@](C)(O)C(F)(F)F)n21.N#Cc1ccc(-c2cc(C(=O)O)nn2C2CC2)cc1.

What is the InChIKey of 5-(4-cyanophenyl)-1-cyclopropylpyrazole-3-carboxylic acid;4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol?

The InChIKey is UTKFIWJUUCRCNW-ZVJPSTRYSA-N. The full InChI is InChI=1S/C24H23F3N6O2.C14H11N3O2.C10H14F3N3O/c1-14-12-31(13-18-11-29-22(32(14)18)23(2,35)24(25,26)27)21(34)19-9-20(33(30-19)17-7-8-17)16-5-3-15(10-28)4-6-16;15-8-9-1-3-10(4-2-9)13-7-12(14(18)19)16-17(13)11-5-6-11;1-6-3-14-4-7-5-15-8(16(6)7)9(2,17)10(11,12)13/h3-6,9,11,14,17,35H,7-8,12-13H2,1-2H3;1-4,7,11H,5-6H2,(H,18,19);5-6,14,17H,3-4H2,1-2H3/t14-,23+;;6-,9+/m0.0/s1.

What are the key properties of 5-(4-cyanophenyl)-1-cyclopropylpyrazole-3-carboxylic acid;4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol?

5-(4-cyanophenyl)-1-cyclopropylpyrazole-3-carboxylic acid;4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol has a molecular weight of 986.98 g/mol, XLogP of 7.71, 8 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-cyanophenyl)-1-cyclopropylpyrazole-3-carboxylic acid;4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol is sourced from PubChem (CID 161188525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).