N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-fluoro-1H-pyrazol-5-yl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-methyl-1H-pyrazol-3-yl)-4-[(3R)-3-methylpyrrolidin-1-yl]benzamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide

C86H79Cl3F10N16O11 — CID 160827002

IUPACN-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-fluoro-1H-pyrazol-5-yl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-methyl-1H-pyrazol-3-yl)-4-[(3R)-3-methylpyrrolidin-1-yl]benzamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCc1cc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)ccc2N2CC[C@@H](C)C2)n[nH]1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1ccc(N2CC[C@@H](O)C2)c(-c2[nH]ncc2F)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1ccc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
InChIInChI=1S/C23H23ClF2N4O2.C21H18ClF3N4O3.C21H19ClF2N4O3.C21H19F3N4O3/c1-14-9-10-30(13-14)21-8-3-16(12-19(21)20-11-15(2)28-29-20)22(31)27-17-4-6-18(7-5-17)32-23(24,25)26;22-21(24,25)32-15-4-2-13(3-5-15)27-20(31)12-1-6-18(29-8-7-14(30)11-29)16(9-12)19-17(23)10-26-28-19;2*22-21(23,24)31-16-4-2-14(3-5-16)26-20(30)13-1-6-19(28-10-8-15(29)12-28)17(11-13)18-7-9-25-27-18/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,27,31)(H,28,29);1-6,9-10,14,30H,7-8,11H2,(H,26,28)(H,27,31);2*1-7,9,11,15,29H,8,10,12H2,(H,25,27)(H,26,30)/t2*14-;2*15-/m1111/s1
InChIKeySGHQVOBALHORMM-TYWQKIOGSA-N
MW1809.02 g/mol
LogP17.73
Rot. Bonds23

About N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-fluoro-1H-pyrazol-5-yl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-methyl-1H-pyrazol-3-yl)-4-[(3R)-3-methylpyrrolidin-1-yl]benzamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide

N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-fluoro-1H-pyrazol-5-yl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-methyl-1H-pyrazol-3-yl)-4-[(3R)-3-methylpyrrolidin-1-yl]benzamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 160827002) has the molecular formula C86H79Cl3F10N16O11 and a molecular weight of 1809.02 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-fluoro-1H-pyrazol-5-yl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-methyl-1H-pyrazol-3-yl)-4-[(3R)-3-methylpyrrolidin-1-yl]benzamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-fluoro-1H-pyrazol-5-yl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-methyl-1H-pyrazol-3-yl)-4-[(3R)-3-methylpyrrolidin-1-yl]benzamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID160827002
Molecular FormulaC86H79Cl3F10N16O11
Molecular Weight1809.02 g/mol
Exact Mass1806.50
IUPAC NameN-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-fluoro-1H-pyrazol-5-yl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-methyl-1H-pyrazol-3-yl)-4-[(3R)-3-methylpyrrolidin-1-yl]benzamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCc1cc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)ccc2N2CC[C@@H](C)C2)n[nH]1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1ccc(N2CC[C@@H](O)C2)c(-c2[nH]ncc2F)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1ccc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
InChIInChI=1S/C23H23ClF2N4O2.C21H18ClF3N4O3.C21H19ClF2N4O3.C21H19F3N4O3/c1-14-9-10-30(13-14)21-8-3-16(12-19(21)20-11-15(2)28-29-20)22(31)27-17-4-6-18(7-5-17)32-23(24,25)26;22-21(24,25)32-15-4-2-13(3-5-15)27-20(31)12-1-6-18(29-8-7-14(30)11-29)16(9-12)19-17(23)10-26-28-19;2*22-21(23,24)31-16-4-2-14(3-5-16)26-20(30)13-1-6-19(28-10-8-15(29)12-28)17(11-13)18-7-9-25-27-18/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,27,31)(H,28,29);1-6,9-10,14,30H,7-8,11H2,(H,26,28)(H,27,31);2*1-7,9,11,15,29H,8,10,12H2,(H,25,27)(H,26,30)/t2*14-;2*15-/m1111/s1
InChIKeySGHQVOBALHORMM-TYWQKIOGSA-N
XLogP17.73
TPSA341.69 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001809.02
LogP ≤ 517.73
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-fluoro-1H-pyrazol-5-yl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-methyl-1H-pyrazol-3-yl)-4-[(3R)-3-methylpyrrolidin-1-yl]benzamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide with MolForge

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Related Compounds

N-(4-(Chlorodifluoromethoxy)phenyl)-4-((3S,4S)-3,4-dihydroxypyrrolidin-1-yl)-3-(1H-pyrazol-5-yl)benzamide
CID 118045025
4-((3S,4S)-3-Amino-4-hydroxypyrrolidin-1-yl)-N-(4-(chlorodifluoromethoxy)phenyl)-3-(1H-pyrazol-5-yl)benzamide
CID 118045026
(R)-N-(4-(Chlorodifluoromethoxy)phenyl)-3-(4-fluoro-1H-pyrazol-5-yl)-4-(3-hydroxypyrrolidin-1-yl)benzamide
CID 72544218
(R)-4-(3-Hydroxypyrrolidin-1-yl)-3-(1H-pyrazol-5-yl)-N-(4-(trifluoromethoxy)phenyl)benzamide
CID 72544441
(R)-N-(4-(Chlorodifluoromethoxy)phenyl)-4-(3-hydroxypyrrolidin-1-yl)-3-(1H-pyrazol-5-yl)benzamide
CID 72544442
(R)-N-(4-(Chlorodifluoromethoxy)phenyl)-4-(3-hydroxypyrrolidin-1-yl)-3-(3-methyl-1H-pyrazol-5-yl)benzamide
CID 72544443
N-[4-[chloro(difluoro)methoxy]phenyl]-4-(3-hydroxypyrrolidin-1-yl)-3-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 89904448
N-[4-[chloro(difluoro)methoxy]phenyl]-4-(3-hydroxypyrrolidin-1-yl)-3-(1H-pyrazol-5-yl)benzamide
CID 89904482
N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-fluoro-1H-pyrazol-5-yl)-4-(3-hydroxypyrrolidin-1-yl)benzamide
CID 89904553
4-(3-hydroxypyrrolidin-1-yl)-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 89904591
4-[(3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1H-pyrazol-5-yl)benzamide
CID 121474333
4-(3-amino-4-hydroxypyrrolidin-1-yl)-N-[4-[chloro(difluoro)methoxy]phenyl]-3-(1H-pyrazol-5-yl)benzamide
CID 123720533

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-fluoro-1H-pyrazol-5-yl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-methyl-1H-pyrazol-3-yl)-4-[(3R)-3-methylpyrrolidin-1-yl]benzamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-fluoro-1H-pyrazol-5-yl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-methyl-1H-pyrazol-3-yl)-4-[(3R)-3-methylpyrrolidin-1-yl]benzamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 160827002) is N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-fluoro-1H-pyrazol-5-yl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-methyl-1H-pyrazol-3-yl)-4-[(3R)-3-methylpyrrolidin-1-yl]benzamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-fluoro-1H-pyrazol-5-yl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-methyl-1H-pyrazol-3-yl)-4-[(3R)-3-methylpyrrolidin-1-yl]benzamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-fluoro-1H-pyrazol-5-yl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-methyl-1H-pyrazol-3-yl)-4-[(3R)-3-methylpyrrolidin-1-yl]benzamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide is Cc1cc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)ccc2N2CC[C@@H](C)C2)n[nH]1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1ccc(N2CC[C@@H](O)C2)c(-c2[nH]ncc2F)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1ccc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1.
What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-fluoro-1H-pyrazol-5-yl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-methyl-1H-pyrazol-3-yl)-4-[(3R)-3-methylpyrrolidin-1-yl]benzamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is SGHQVOBALHORMM-TYWQKIOGSA-N. The full InChI is InChI=1S/C23H23ClF2N4O2.C21H18ClF3N4O3.C21H19ClF2N4O3.C21H19F3N4O3/c1-14-9-10-30(13-14)21-8-3-16(12-19(21)20-11-15(2)28-29-20)22(31)27-17-4-6-18(7-5-17)32-23(24,25)26;22-21(24,25)32-15-4-2-13(3-5-15)27-20(31)12-1-6-18(29-8-7-14(30)11-29)16(9-12)19-17(23)10-26-28-19;2*22-21(23,24)31-16-4-2-14(3-5-16)26-20(30)13-1-6-19(28-10-8-15(29)12-28)17(11-13)18-7-9-25-27-18/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,27,31)(H,28,29);1-6,9-10,14,30H,7-8,11H2,(H,26,28)(H,27,31);2*1-7,9,11,15,29H,8,10,12H2,(H,25,27)(H,26,30)/t2*14-;2*15-/m1111/s1.
What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-fluoro-1H-pyrazol-5-yl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-methyl-1H-pyrazol-3-yl)-4-[(3R)-3-methylpyrrolidin-1-yl]benzamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-fluoro-1H-pyrazol-5-yl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-methyl-1H-pyrazol-3-yl)-4-[(3R)-3-methylpyrrolidin-1-yl]benzamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 1809.02 g/mol, XLogP of 17.73, 23 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methoxy]phenyl]-3-(4-fluoro-1H-pyrazol-5-yl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)benzamide;N-[4-[chloro(difluoro)methoxy]phenyl]-3-(5-methyl-1H-pyrazol-3-yl)-4-[(3R)-3-methylpyrrolidin-1-yl]benzamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 160827002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).