About 3-[1-(1,3-benzodioxol-5-yl)pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-[1-(4-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-(1-phenylpyrazol-3-yl)benzonitrile;3-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzoic acid
3-[1-(1,3-benzodioxol-5-yl)pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-[1-(4-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-(1-phenylpyrazol-3-yl)benzonitrile;3-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzoic acid (PubChem CID 161130111) has the molecular formula C122H92F4N20O7
and a molecular weight of 2026.20 g/mol. Its IUPAC name is 3-[1-(1,3-benzodioxol-5-yl)pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-[1-(4-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-(1-phenylpyrazol-3-yl)benzonitrile;3-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzoic acid.
Analyze 3-[1-(1,3-benzodioxol-5-yl)pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-[1-(4-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-(1-phenylpyrazol-3-yl)benzonitrile;3-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzoic acid with MolForge
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Frequently Asked Questions
What is the IUPAC name of 3-[1-(1,3-benzodioxol-5-yl)pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-[1-(4-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-(1-phenylpyrazol-3-yl)benzonitrile;3-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzoic acid?
The IUPAC name of 3-[1-(1,3-benzodioxol-5-yl)pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-[1-(4-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-(1-phenylpyrazol-3-yl)benzonitrile;3-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzoic acid (CID 161130111) is 3-[1-(1,3-benzodioxol-5-yl)pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-[1-(4-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-(1-phenylpyrazol-3-yl)benzonitrile;3-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzoic acid.
What is the SMILES notation for 3-[1-(1,3-benzodioxol-5-yl)pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-[1-(4-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-(1-phenylpyrazol-3-yl)benzonitrile;3-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzoic acid?
The canonical SMILES for 3-[1-(1,3-benzodioxol-5-yl)pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-[1-(4-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-(1-phenylpyrazol-3-yl)benzonitrile;3-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzoic acid is CC(C)c1ccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)cc1.CC(F)(F)Oc1ccc(-n2ccc(-c3cccc(C#N)c3)n2)cc1.CC(F)(F)c1ccc(-n2ccc(-c3cccc(C#N)c3)n2)cc1.COc1ccc(-n2ccc(-c3cccc(C#N)c3)n2)cc1.COc1cccc(-n2ccc(-c3cccc(C#N)c3)n2)c1.N#Cc1cccc(-c2ccn(-c3ccc4c(c3)OCO4)n2)c1.N#Cc1cccc(-c2ccn(-c3ccccc3)n2)c1.
What is the InChIKey of 3-[1-(1,3-benzodioxol-5-yl)pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-[1-(4-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-(1-phenylpyrazol-3-yl)benzonitrile;3-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzoic acid?
The InChIKey is UMBKZQLERJSRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2.C18H13F2N3O.C18H13F2N3.C17H11N3O2.2C17H13N3O.C16H11N3/c1-13(2)14-6-8-17(9-7-14)21-11-10-18(20-21)15-4-3-5-16(12-15)19(22)23;1-18(19,20)24-16-7-5-15(6-8-16)23-10-9-17(22-23)14-4-2-3-13(11-14)12-21;1-18(19,20)15-5-7-16(8-6-15)23-10-9-17(22-23)14-4-2-3-13(11-14)12-21;18-10-12-2-1-3-13(8-12)15-6-7-20(19-15)14-4-5-16-17(9-14)22-11-21-16;1-21-16-7-3-6-15(11-16)20-9-8-17(19-20)14-5-2-4-13(10-14)12-18;1-21-16-7-5-15(6-8-16)20-10-9-17(19-20)14-4-2-3-13(11-14)12-18;17-12-13-5-4-6-14(11-13)16-9-10-19(18-16)15-7-2-1-3-8-15/h3-13H,1-2H3,(H,22,23);2-11H,1H3;2-11H,1H3;1-9H,11H2;2*2-11H,1H3;1-11H.
What are the key properties of 3-[1-(1,3-benzodioxol-5-yl)pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-[1-(4-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-(1-phenylpyrazol-3-yl)benzonitrile;3-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzoic acid?
3-[1-(1,3-benzodioxol-5-yl)pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-[1-(4-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-(1-phenylpyrazol-3-yl)benzonitrile;3-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzoic acid has a molecular weight of 2026.20 g/mol, XLogP of 26.68, 21 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-benzodioxol-5-yl)pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethoxy)phenyl]pyrazol-3-yl]benzonitrile;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-[1-(4-methoxyphenyl)pyrazol-3-yl]benzonitrile;3-(1-phenylpyrazol-3-yl)benzonitrile;3-[1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzoic acid is sourced from PubChem (CID 161130111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).