1-(cyclopropylmethyl)-4-[[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methyl]-3-methylpyrazole;[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]methanol

C47H48F6N8O2 — CID 164975762

About 1-(cyclopropylmethyl)-4-[[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methyl]-3-methylpyrazole;[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]methanol

1-(cyclopropylmethyl)-4-[[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methyl]-3-methylpyrazole;[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]methanol (PubChem CID 164975762) has the molecular formula C47H48F6N8O2 and a molecular weight of 870.94 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methyl]-3-methylpyrazole;[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]methanol.

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-4-[[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methyl]-3-methylpyrazole;[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]methanol
• PubChem CID: 164975762
• Molecular Formula: C47H48F6N8O2
• Molecular Weight: 870.94 g/mol
• Exact Mass: 870.38
• IUPAC Name: 1-(cyclopropylmethyl)-4-[[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methyl]-3-methylpyrazole;[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]methanol
• SMILES: Cc1nn(CC2CC2)cc1Cc1cc(C(F)F)nn1-c1ccc(F)cc1CO.Cc1nn(CC2CC2)cc1Cc1cc(C(F)F)nn1-c1ccc(F)cc1COCc1ccccc1
• InChI: InChI=1S/C27H27F3N4O.C20H21F3N4O/c1-18-21(15-33(31-18)14-19-7-8-19)12-24-13-25(27(29)30)32-34(24)26-10-9-23(28)11-22(26)17-35-16-20-5-3-2-4-6-20;1-12-14(10-26(24-12)9-13-2-3-13)7-17-8-18(20(22)23)25-27(17)19-5-4-16(21)6-15(19)11-28/h2-6,9-11,13,15,19,27H,7-8,12,14,16-17H2,1H3;4-6,8,10,13,20,28H,2-3,7,9,11H2,1H3
• InChIKey: DTFXOWXEABMVAP-UHFFFAOYSA-N
• XLogP: 10.12
• TPSA: 100.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.94
LogP ≤ 5	10.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methyl]-3-methylpyrazole;[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]methanol?

The IUPAC name of 1-(cyclopropylmethyl)-4-[[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methyl]-3-methylpyrazole;[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]methanol (CID 164975762) is 1-(cyclopropylmethyl)-4-[[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methyl]-3-methylpyrazole;[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]methanol.

What is the SMILES notation for 1-(cyclopropylmethyl)-4-[[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methyl]-3-methylpyrazole;[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]methanol?

The canonical SMILES for 1-(cyclopropylmethyl)-4-[[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methyl]-3-methylpyrazole;[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]methanol is Cc1nn(CC2CC2)cc1Cc1cc(C(F)F)nn1-c1ccc(F)cc1CO.Cc1nn(CC2CC2)cc1Cc1cc(C(F)F)nn1-c1ccc(F)cc1COCc1ccccc1.

What is the InChIKey of 1-(cyclopropylmethyl)-4-[[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methyl]-3-methylpyrazole;[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]methanol?

The InChIKey is DTFXOWXEABMVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N4O.C20H21F3N4O/c1-18-21(15-33(31-18)14-19-7-8-19)12-24-13-25(27(29)30)32-34(24)26-10-9-23(28)11-22(26)17-35-16-20-5-3-2-4-6-20;1-12-14(10-26(24-12)9-13-2-3-13)7-17-8-18(20(22)23)25-27(17)19-5-4-16(21)6-15(19)11-28/h2-6,9-11,13,15,19,27H,7-8,12,14,16-17H2,1H3;4-6,8,10,13,20,28H,2-3,7,9,11H2,1H3.

What are the key properties of 1-(cyclopropylmethyl)-4-[[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methyl]-3-methylpyrazole;[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]methanol?

1-(cyclopropylmethyl)-4-[[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methyl]-3-methylpyrazole;[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]methanol has a molecular weight of 870.94 g/mol, XLogP of 10.12, 17 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-4-[[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methyl]-3-methylpyrazole;[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]methanol is sourced from PubChem (CID 164975762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).