2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetic acid;5-[2-[(2R)-5-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-5-oxo-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate

C61H55F17N10O9 — CID 157327031

About 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetic acid;5-[2-[(2R)-5-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-5-oxo-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate

2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetic acid;5-[2-[(2R)-5-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-5-oxo-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate (PubChem CID 157327031) has the molecular formula C61H55F17N10O9 and a molecular weight of 1395.14 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetic acid;5-[2-[(2R)-5-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-5-oxo-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate.

Molecular Properties

• Compound Name: 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetic acid;5-[2-[(2R)-5-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-5-oxo-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate
• PubChem CID: 157327031
• Molecular Formula: C61H55F17N10O9
• Molecular Weight: 1395.14 g/mol
• Exact Mass: 1394.39
• IUPAC Name: 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetic acid;5-[2-[(2R)-5-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-5-oxo-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate
• SMILES: CCOC(=O)Cn1nc(C(F)F)c2c1CC(=O)C2.CCOC(=O)Cn1nc(C(F)F)c2c1CC(F)(F)C2.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2CC(F)(F)C3)Cc2cc(F)cc(F)c2)ccc1F.O=C(O)Cn1nc(C(F)F)c2c1CC(F)(F)C2
• InChI: InChI=1S/C30H23F7N4O2.C11H12F4N2O2.C11H12F2N2O3.C9H8F4N2O2/c31-18-7-15(8-19(32)11-18)6-17(26-21(2-1-5-39-26)16-3-4-24(33)22(10-16)29(38)43)9-20(42)14-41-25-13-30(36,37)12-23(25)27(40-41)28(34)35;1-2-19-8(18)5-17-7-4-11(14,15)3-6(7)9(16-17)10(12)13;1-2-18-9(17)5-15-8-4-6(16)3-7(8)10(14-15)11(12)13;10-8(11)7-4-1-9(12,13)2-5(4)15(14-7)3-6(16)17/h1-5,7-8,10-11,17,28H,6,9,12-14H2,(H2,38,43);10H,2-5H2,1H3;11H,2-5H2,1H3;8H,1-3H2,(H,16,17)/t17-;;;/m1.../s1
• InChIKey: BEVUSALGGJXYAL-NMRXSTGRSA-N
• XLogP: 10.93
• TPSA: 251.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1395.14
LogP ≤ 5	10.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetic acid;5-[2-[(2R)-5-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-5-oxo-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate?

The IUPAC name of 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetic acid;5-[2-[(2R)-5-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-5-oxo-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate (CID 157327031) is 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetic acid;5-[2-[(2R)-5-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-5-oxo-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate.

What is the SMILES notation for 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetic acid;5-[2-[(2R)-5-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-5-oxo-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate?

The canonical SMILES for 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetic acid;5-[2-[(2R)-5-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-5-oxo-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate is CCOC(=O)Cn1nc(C(F)F)c2c1CC(=O)C2.CCOC(=O)Cn1nc(C(F)F)c2c1CC(F)(F)C2.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2CC(F)(F)C3)Cc2cc(F)cc(F)c2)ccc1F.O=C(O)Cn1nc(C(F)F)c2c1CC(F)(F)C2.

What is the InChIKey of 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetic acid;5-[2-[(2R)-5-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-5-oxo-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate?

The InChIKey is BEVUSALGGJXYAL-NMRXSTGRSA-N. The full InChI is InChI=1S/C30H23F7N4O2.C11H12F4N2O2.C11H12F2N2O3.C9H8F4N2O2/c31-18-7-15(8-19(32)11-18)6-17(26-21(2-1-5-39-26)16-3-4-24(33)22(10-16)29(38)43)9-20(42)14-41-25-13-30(36,37)12-23(25)27(40-41)28(34)35;1-2-19-8(18)5-17-7-4-11(14,15)3-6(7)9(16-17)10(12)13;1-2-18-9(17)5-15-8-4-6(16)3-7(8)10(14-15)11(12)13;10-8(11)7-4-1-9(12,13)2-5(4)15(14-7)3-6(16)17/h1-5,7-8,10-11,17,28H,6,9,12-14H2,(H2,38,43);10H,2-5H2,1H3;11H,2-5H2,1H3;8H,1-3H2,(H,16,17)/t17-;;;/m1.../s1.

What are the key properties of 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetic acid;5-[2-[(2R)-5-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-5-oxo-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate?

2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetic acid;5-[2-[(2R)-5-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-5-oxo-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate has a molecular weight of 1395.14 g/mol, XLogP of 10.93, 21 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetic acid;5-[2-[(2R)-5-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate;ethyl 2-[3-(difluoromethyl)-5-oxo-4,6-dihydrocyclopenta[d]pyrazol-1-yl]acetate is sourced from PubChem (CID 157327031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).