1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole;[1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol

C52H56F2N10O5 — CID 165060187

About 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole;[1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol

1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole;[1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol (PubChem CID 165060187) has the molecular formula C52H56F2N10O5 and a molecular weight of 939.08 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole;[1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol.

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole;[1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol
• PubChem CID: 165060187
• Molecular Formula: C52H56F2N10O5
• Molecular Weight: 939.08 g/mol
• Exact Mass: 938.44
• IUPAC Name: 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole;[1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol
• SMILES: COc1cc(C(O)c2cn(CC3CC3)nn2)n(-c2ccc(F)cc2[C@@H](C)OCc2ccccc2)n1.COc1cc(Cc2cn(CC3CC3)nn2)n(-c2ccc(F)cc2[C@@H](C)OCc2ccccc2)n1
• InChI: InChI=1S/C26H28FN5O3.C26H28FN5O2/c1-17(35-16-19-6-4-3-5-7-19)21-12-20(27)10-11-23(21)32-24(13-25(29-32)34-2)26(33)22-15-31(30-28-22)14-18-8-9-18;1-18(34-17-20-6-4-3-5-7-20)24-12-21(27)10-11-25(24)32-23(14-26(29-32)33-2)13-22-16-31(30-28-22)15-19-8-9-19/h3-7,10-13,15,17-18,26,33H,8-9,14,16H2,1-2H3;3-7,10-12,14,16,18-19H,8-9,13,15,17H2,1-2H3/t17-,26?;18-/m11/s1
• InChIKey: RBNLIVBRXSZPBW-GSVFRWGUSA-N
• XLogP: 9.27
• TPSA: 154.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	939.08
LogP ≤ 5	9.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole;[1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol?

The IUPAC name of 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole;[1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol (CID 165060187) is 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole;[1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol.

What is the SMILES notation for 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole;[1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol?

The canonical SMILES for 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole;[1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol is COc1cc(C(O)c2cn(CC3CC3)nn2)n(-c2ccc(F)cc2[C@@H](C)OCc2ccccc2)n1.COc1cc(Cc2cn(CC3CC3)nn2)n(-c2ccc(F)cc2[C@@H](C)OCc2ccccc2)n1.

What is the InChIKey of 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole;[1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol?

The InChIKey is RBNLIVBRXSZPBW-GSVFRWGUSA-N. The full InChI is InChI=1S/C26H28FN5O3.C26H28FN5O2/c1-17(35-16-19-6-4-3-5-7-19)21-12-20(27)10-11-23(21)32-24(13-25(29-32)34-2)26(33)22-15-31(30-28-22)14-18-8-9-18;1-18(34-17-20-6-4-3-5-7-20)24-12-21(27)10-11-25(24)32-23(14-26(29-32)33-2)13-22-16-31(30-28-22)15-19-8-9-19/h3-7,10-13,15,17-18,26,33H,8-9,14,16H2,1-2H3;3-7,10-12,14,16,18-19H,8-9,13,15,17H2,1-2H3/t17-,26?;18-/m11/s1.

What are the key properties of 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole;[1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol?

1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole;[1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol has a molecular weight of 939.08 g/mol, XLogP of 9.27, 20 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methyl]triazole;[1-(cyclopropylmethyl)triazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-methoxypyrazol-5-yl]methanol is sourced from PubChem (CID 165060187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).