5-[(4-chloro-3-methylpyrazol-1-yl)methyl]-3-(3-chlorophenyl)-2-ethoxypyridine;3-(3-chlorophenyl)-5-[(4-ethynylpyrazol-1-yl)methyl]-2-methoxypyridine;bis(3-(3-chlorophenyl)-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine);[1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrazol-4-yl]-hydroxy-methylideneazanium;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine;2-[[5-[3-(difluoromethoxy)phenyl]-6-methoxy-3-pyridinyl]methyl]pyrazol-3-amine

C122H112Cl6F4N23O10+ — CID 159787471

IUPAC5-[(4-chloro-3-methylpyrazol-1-yl)methyl]-3-(3-chlorophenyl)-2-ethoxypyridine;3-(3-chlorophenyl)-5-[(4-ethynylpyrazol-1-yl)methyl]-2-methoxypyridine;bis(3-(3-chlorophenyl)-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine);[1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrazol-4-yl]-hydroxy-methylideneazanium;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine;2-[[5-[3-(difluoromethoxy)phenyl]-6-methoxy-3-pyridinyl]methyl]pyrazol-3-amine
SMILESC#Cc1cnn(Cc2cnc(OC)c(-c3cccc(Cl)c3)c2)c1.C=[N+](O)c1cnn(Cc2cnc(OC)c(-c3cccc(Cl)c3)c2)c1.CCOc1ncc(Cn2cc(Cl)c(C)n2)cc1-c1cccc(Cl)c1.COc1ncc(Cn2cc(C)cn2)cc1-c1cccc(Cl)c1.COc1ncc(Cn2cc(C)cn2)cc1-c1cccc(Cl)c1.COc1ncc(Cn2cc(C)cn2)cc1-c1cccc(OC(F)F)c1.COc1ncc(Cn2nccc2N)cc1-c1cccc(OC(F)F)c1
InChIInChI=1S/C18H17Cl2N3O.C18H14ClN3O.C18H17F2N3O2.C17H16ClN4O2.2C17H16ClN3O.C17H16F2N4O2/c1-3-24-18-16(14-5-4-6-15(19)8-14)7-13(9-21-18)10-23-11-17(20)12(2)22-23;1-3-13-10-21-22(11-13)12-14-7-17(18(23-2)20-9-14)15-5-4-6-16(19)8-15;1-12-8-22-23(10-12)11-13-6-16(17(24-2)21-9-13)14-4-3-5-15(7-14)25-18(19)20;1-21(23)15-9-20-22(11-15)10-12-6-16(17(24-2)19-8-12)13-4-3-5-14(18)7-13;2*1-12-8-20-21(10-12)11-13-6-16(17(22-2)19-9-13)14-4-3-5-15(18)7-14;1-24-16-14(12-3-2-4-13(8-12)25-17(18)19)7-11(9-21-16)10-23-15(20)5-6-22-23/h4-9,11H,3,10H2,1-2H3;1,4-11H,12H2,2H3;3-10,18H,11H2,1-2H3;3-9,11,23H,1,10H2,2H3;2*3-10H,11H2,1-2H3;2-9,17H,10,20H2,1H3/q;;;+1;;;
InChIKeyNIDBXPMVQHZYHP-UHFFFAOYSA-N
MW2349.10 g/mol
LogP27.06
Rot. Bonds34

About 5-[(4-chloro-3-methylpyrazol-1-yl)methyl]-3-(3-chlorophenyl)-2-ethoxypyridine;3-(3-chlorophenyl)-5-[(4-ethynylpyrazol-1-yl)methyl]-2-methoxypyridine;bis(3-(3-chlorophenyl)-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine);[1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrazol-4-yl]-hydroxy-methylideneazanium;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine;2-[[5-[3-(difluoromethoxy)phenyl]-6-methoxy-3-pyridinyl]methyl]pyrazol-3-amine

5-[(4-chloro-3-methylpyrazol-1-yl)methyl]-3-(3-chlorophenyl)-2-ethoxypyridine;3-(3-chlorophenyl)-5-[(4-ethynylpyrazol-1-yl)methyl]-2-methoxypyridine;bis(3-(3-chlorophenyl)-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine);[1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrazol-4-yl]-hydroxy-methylideneazanium;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine;2-[[5-[3-(difluoromethoxy)phenyl]-6-methoxy-3-pyridinyl]methyl]pyrazol-3-amine (PubChem CID 159787471) has the molecular formula C122H112Cl6F4N23O10+ and a molecular weight of 2349.10 g/mol. Its IUPAC name is 5-[(4-chloro-3-methylpyrazol-1-yl)methyl]-3-(3-chlorophenyl)-2-ethoxypyridine;3-(3-chlorophenyl)-5-[(4-ethynylpyrazol-1-yl)methyl]-2-methoxypyridine;bis(3-(3-chlorophenyl)-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine);[1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrazol-4-yl]-hydroxy-methylideneazanium;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine;2-[[5-[3-(difluoromethoxy)phenyl]-6-methoxy-3-pyridinyl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name5-[(4-chloro-3-methylpyrazol-1-yl)methyl]-3-(3-chlorophenyl)-2-ethoxypyridine;3-(3-chlorophenyl)-5-[(4-ethynylpyrazol-1-yl)methyl]-2-methoxypyridine;bis(3-(3-chlorophenyl)-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine);[1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrazol-4-yl]-hydroxy-methylideneazanium;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine;2-[[5-[3-(difluoromethoxy)phenyl]-6-methoxy-3-pyridinyl]methyl]pyrazol-3-amine
PubChem CID159787471
Molecular FormulaC122H112Cl6F4N23O10+
Molecular Weight2349.10 g/mol
Exact Mass2344.70
IUPAC Name5-[(4-chloro-3-methylpyrazol-1-yl)methyl]-3-(3-chlorophenyl)-2-ethoxypyridine;3-(3-chlorophenyl)-5-[(4-ethynylpyrazol-1-yl)methyl]-2-methoxypyridine;bis(3-(3-chlorophenyl)-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine);[1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrazol-4-yl]-hydroxy-methylideneazanium;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine;2-[[5-[3-(difluoromethoxy)phenyl]-6-methoxy-3-pyridinyl]methyl]pyrazol-3-amine
SMILESC#Cc1cnn(Cc2cnc(OC)c(-c3cccc(Cl)c3)c2)c1.C=[N+](O)c1cnn(Cc2cnc(OC)c(-c3cccc(Cl)c3)c2)c1.CCOc1ncc(Cn2cc(Cl)c(C)n2)cc1-c1cccc(Cl)c1.COc1ncc(Cn2cc(C)cn2)cc1-c1cccc(Cl)c1.COc1ncc(Cn2cc(C)cn2)cc1-c1cccc(Cl)c1.COc1ncc(Cn2cc(C)cn2)cc1-c1cccc(OC(F)F)c1.COc1ncc(Cn2nccc2N)cc1-c1cccc(OC(F)F)c1
InChIInChI=1S/C18H17Cl2N3O.C18H14ClN3O.C18H17F2N3O2.C17H16ClN4O2.2C17H16ClN3O.C17H16F2N4O2/c1-3-24-18-16(14-5-4-6-15(19)8-14)7-13(9-21-18)10-23-11-17(20)12(2)22-23;1-3-13-10-21-22(11-13)12-14-7-17(18(23-2)20-9-14)15-5-4-6-16(19)8-15;1-12-8-22-23(10-12)11-13-6-16(17(24-2)21-9-13)14-4-3-5-15(7-14)25-18(19)20;1-21(23)15-9-20-22(11-15)10-12-6-16(17(24-2)19-8-12)13-4-3-5-14(18)7-13;2*1-12-8-20-21(10-12)11-13-6-16(17(22-2)19-9-13)14-4-3-5-15(18)7-14;1-24-16-14(12-3-2-4-13(8-12)25-17(18)19)7-11(9-21-16)10-23-15(20)5-6-22-23/h4-9,11H,3,10H2,1-2H3;1,4-11H,12H2,2H3;3-10,18H,11H2,1-2H3;3-9,11,23H,1,10H2,2H3;2*3-10H,11H2,1-2H3;2-9,17H,10,20H2,1H3/q;;;+1;;;
InChIKeyNIDBXPMVQHZYHP-UHFFFAOYSA-N
XLogP27.06
TPSA347.30 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds34
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002349.10
LogP ≤ 527.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-[(4-chloro-3-methylpyrazol-1-yl)methyl]-3-(3-chlorophenyl)-2-ethoxypyridine;3-(3-chlorophenyl)-5-[(4-ethynylpyrazol-1-yl)methyl]-2-methoxypyridine;bis(3-(3-chlorophenyl)-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine);[1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrazol-4-yl]-hydroxy-methylideneazanium;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine;2-[[5-[3-(difluoromethoxy)phenyl]-6-methoxy-3-pyridinyl]methyl]pyrazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-methylpyrazol-1-yl)methyl]-3-(3-chlorophenyl)-2-ethoxypyridine;3-(3-chlorophenyl)-5-[(4-ethynylpyrazol-1-yl)methyl]-2-methoxypyridine;bis(3-(3-chlorophenyl)-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine);[1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrazol-4-yl]-hydroxy-methylideneazanium;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine;2-[[5-[3-(difluoromethoxy)phenyl]-6-methoxy-3-pyridinyl]methyl]pyrazol-3-amine?
The IUPAC name of 5-[(4-chloro-3-methylpyrazol-1-yl)methyl]-3-(3-chlorophenyl)-2-ethoxypyridine;3-(3-chlorophenyl)-5-[(4-ethynylpyrazol-1-yl)methyl]-2-methoxypyridine;bis(3-(3-chlorophenyl)-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine);[1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrazol-4-yl]-hydroxy-methylideneazanium;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine;2-[[5-[3-(difluoromethoxy)phenyl]-6-methoxy-3-pyridinyl]methyl]pyrazol-3-amine (CID 159787471) is 5-[(4-chloro-3-methylpyrazol-1-yl)methyl]-3-(3-chlorophenyl)-2-ethoxypyridine;3-(3-chlorophenyl)-5-[(4-ethynylpyrazol-1-yl)methyl]-2-methoxypyridine;bis(3-(3-chlorophenyl)-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine);[1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrazol-4-yl]-hydroxy-methylideneazanium;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine;2-[[5-[3-(difluoromethoxy)phenyl]-6-methoxy-3-pyridinyl]methyl]pyrazol-3-amine.
What is the SMILES notation for 5-[(4-chloro-3-methylpyrazol-1-yl)methyl]-3-(3-chlorophenyl)-2-ethoxypyridine;3-(3-chlorophenyl)-5-[(4-ethynylpyrazol-1-yl)methyl]-2-methoxypyridine;bis(3-(3-chlorophenyl)-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine);[1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrazol-4-yl]-hydroxy-methylideneazanium;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine;2-[[5-[3-(difluoromethoxy)phenyl]-6-methoxy-3-pyridinyl]methyl]pyrazol-3-amine?
The canonical SMILES for 5-[(4-chloro-3-methylpyrazol-1-yl)methyl]-3-(3-chlorophenyl)-2-ethoxypyridine;3-(3-chlorophenyl)-5-[(4-ethynylpyrazol-1-yl)methyl]-2-methoxypyridine;bis(3-(3-chlorophenyl)-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine);[1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrazol-4-yl]-hydroxy-methylideneazanium;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine;2-[[5-[3-(difluoromethoxy)phenyl]-6-methoxy-3-pyridinyl]methyl]pyrazol-3-amine is C#Cc1cnn(Cc2cnc(OC)c(-c3cccc(Cl)c3)c2)c1.C=[N+](O)c1cnn(Cc2cnc(OC)c(-c3cccc(Cl)c3)c2)c1.CCOc1ncc(Cn2cc(Cl)c(C)n2)cc1-c1cccc(Cl)c1.COc1ncc(Cn2cc(C)cn2)cc1-c1cccc(Cl)c1.COc1ncc(Cn2cc(C)cn2)cc1-c1cccc(Cl)c1.COc1ncc(Cn2cc(C)cn2)cc1-c1cccc(OC(F)F)c1.COc1ncc(Cn2nccc2N)cc1-c1cccc(OC(F)F)c1.
What is the InChIKey of 5-[(4-chloro-3-methylpyrazol-1-yl)methyl]-3-(3-chlorophenyl)-2-ethoxypyridine;3-(3-chlorophenyl)-5-[(4-ethynylpyrazol-1-yl)methyl]-2-methoxypyridine;bis(3-(3-chlorophenyl)-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine);[1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrazol-4-yl]-hydroxy-methylideneazanium;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine;2-[[5-[3-(difluoromethoxy)phenyl]-6-methoxy-3-pyridinyl]methyl]pyrazol-3-amine?
The InChIKey is NIDBXPMVQHZYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O.C18H14ClN3O.C18H17F2N3O2.C17H16ClN4O2.2C17H16ClN3O.C17H16F2N4O2/c1-3-24-18-16(14-5-4-6-15(19)8-14)7-13(9-21-18)10-23-11-17(20)12(2)22-23;1-3-13-10-21-22(11-13)12-14-7-17(18(23-2)20-9-14)15-5-4-6-16(19)8-15;1-12-8-22-23(10-12)11-13-6-16(17(24-2)21-9-13)14-4-3-5-15(7-14)25-18(19)20;1-21(23)15-9-20-22(11-15)10-12-6-16(17(24-2)19-8-12)13-4-3-5-14(18)7-13;2*1-12-8-20-21(10-12)11-13-6-16(17(22-2)19-9-13)14-4-3-5-15(18)7-14;1-24-16-14(12-3-2-4-13(8-12)25-17(18)19)7-11(9-21-16)10-23-15(20)5-6-22-23/h4-9,11H,3,10H2,1-2H3;1,4-11H,12H2,2H3;3-10,18H,11H2,1-2H3;3-9,11,23H,1,10H2,2H3;2*3-10H,11H2,1-2H3;2-9,17H,10,20H2,1H3/q;;;+1;;;.
What are the key properties of 5-[(4-chloro-3-methylpyrazol-1-yl)methyl]-3-(3-chlorophenyl)-2-ethoxypyridine;3-(3-chlorophenyl)-5-[(4-ethynylpyrazol-1-yl)methyl]-2-methoxypyridine;bis(3-(3-chlorophenyl)-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine);[1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrazol-4-yl]-hydroxy-methylideneazanium;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine;2-[[5-[3-(difluoromethoxy)phenyl]-6-methoxy-3-pyridinyl]methyl]pyrazol-3-amine?
5-[(4-chloro-3-methylpyrazol-1-yl)methyl]-3-(3-chlorophenyl)-2-ethoxypyridine;3-(3-chlorophenyl)-5-[(4-ethynylpyrazol-1-yl)methyl]-2-methoxypyridine;bis(3-(3-chlorophenyl)-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine);[1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrazol-4-yl]-hydroxy-methylideneazanium;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine;2-[[5-[3-(difluoromethoxy)phenyl]-6-methoxy-3-pyridinyl]methyl]pyrazol-3-amine has a molecular weight of 2349.10 g/mol, XLogP of 27.06, 34 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-methylpyrazol-1-yl)methyl]-3-(3-chlorophenyl)-2-ethoxypyridine;3-(3-chlorophenyl)-5-[(4-ethynylpyrazol-1-yl)methyl]-2-methoxypyridine;bis(3-(3-chlorophenyl)-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine);[1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]pyrazol-4-yl]-hydroxy-methylideneazanium;3-[3-(difluoromethoxy)phenyl]-2-methoxy-5-[(4-methylpyrazol-1-yl)methyl]pyridine;2-[[5-[3-(difluoromethoxy)phenyl]-6-methoxy-3-pyridinyl]methyl]pyrazol-3-amine is sourced from PubChem (CID 159787471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).