2-chloro-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;4-chloro-5-(trifluoromethyl)-1H-pyrazole;2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;5-(trifluoromethyl)-1H-pyrazole

C40H32Cl3F11N12O2 — CID 158744779

About 2-chloro-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;4-chloro-5-(trifluoromethyl)-1H-pyrazole;2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;5-(trifluoromethyl)-1H-pyrazole

2-chloro-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;4-chloro-5-(trifluoromethyl)-1H-pyrazole;2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;5-(trifluoromethyl)-1H-pyrazole (PubChem CID 158744779) has the molecular formula C40H32Cl3F11N12O2 and a molecular weight of 1028.11 g/mol. Its IUPAC name is 2-chloro-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;4-chloro-5-(trifluoromethyl)-1H-pyrazole;2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

• Compound Name: 2-chloro-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;4-chloro-5-(trifluoromethyl)-1H-pyrazole;2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;5-(trifluoromethyl)-1H-pyrazole
• PubChem CID: 158744779
• Molecular Formula: C40H32Cl3F11N12O2
• Molecular Weight: 1028.11 g/mol
• Exact Mass: 1026.17
• IUPAC Name: 2-chloro-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;4-chloro-5-(trifluoromethyl)-1H-pyrazole;2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;5-(trifluoromethyl)-1H-pyrazole
• SMILES: FC(F)(F)c1[nH]ncc1Cl.FC(F)(F)c1ccn[nH]1.O=C(CCl)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1cc(Cl)c(C(F)(F)F)n1)N1CCCc2c1cnn2-c1ccc(F)cc1
• InChI: InChI=1S/C18H14ClF4N5O.C14H13ClFN3O.C4H2ClF3N2.C4H3F3N2/c19-13-9-26(25-17(13)18(21,22)23)10-16(29)27-7-1-2-14-15(27)8-24-28(14)12-5-3-11(20)4-6-12;15-8-14(20)18-7-1-2-12-13(18)9-17-19(12)11-5-3-10(16)4-6-11;5-2-1-9-10-3(2)4(6,7)8;5-4(6,7)3-1-2-8-9-3/h3-6,8-9H,1-2,7,10H2;3-6,9H,1-2,7-8H2;1H,(H,9,10);1-2H,(H,8,9)
• InChIKey: IMTCNHGOQJNGGJ-UHFFFAOYSA-N
• XLogP: 9.90
• TPSA: 151.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1028.11
LogP ≤ 5	9.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;4-chloro-5-(trifluoromethyl)-1H-pyrazole;2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;5-(trifluoromethyl)-1H-pyrazole?

The IUPAC name of 2-chloro-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;4-chloro-5-(trifluoromethyl)-1H-pyrazole;2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;5-(trifluoromethyl)-1H-pyrazole (CID 158744779) is 2-chloro-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;4-chloro-5-(trifluoromethyl)-1H-pyrazole;2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;5-(trifluoromethyl)-1H-pyrazole.

What is the SMILES notation for 2-chloro-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;4-chloro-5-(trifluoromethyl)-1H-pyrazole;2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;5-(trifluoromethyl)-1H-pyrazole?

The canonical SMILES for 2-chloro-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;4-chloro-5-(trifluoromethyl)-1H-pyrazole;2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1[nH]ncc1Cl.FC(F)(F)c1ccn[nH]1.O=C(CCl)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(Cn1cc(Cl)c(C(F)(F)F)n1)N1CCCc2c1cnn2-c1ccc(F)cc1.

What is the InChIKey of 2-chloro-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;4-chloro-5-(trifluoromethyl)-1H-pyrazole;2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;5-(trifluoromethyl)-1H-pyrazole?

The InChIKey is IMTCNHGOQJNGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF4N5O.C14H13ClFN3O.C4H2ClF3N2.C4H3F3N2/c19-13-9-26(25-17(13)18(21,22)23)10-16(29)27-7-1-2-14-15(27)8-24-28(14)12-5-3-11(20)4-6-12;15-8-14(20)18-7-1-2-12-13(18)9-17-19(12)11-5-3-10(16)4-6-11;5-2-1-9-10-3(2)4(6,7)8;5-4(6,7)3-1-2-8-9-3/h3-6,8-9H,1-2,7,10H2;3-6,9H,1-2,7-8H2;1H,(H,9,10);1-2H,(H,8,9).

What are the key properties of 2-chloro-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;4-chloro-5-(trifluoromethyl)-1H-pyrazole;2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;5-(trifluoromethyl)-1H-pyrazole?

2-chloro-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;4-chloro-5-(trifluoromethyl)-1H-pyrazole;2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 1028.11 g/mol, XLogP of 9.90, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;4-chloro-5-(trifluoromethyl)-1H-pyrazole;2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 158744779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).