3-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoic acid;3-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;3-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinoxalin-2-ylpyrazol-1-yl)benzoic acid

C112H78N24O15 — CID 158006772

IUPAC3-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoic acid;3-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;3-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinoxalin-2-ylpyrazol-1-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2cc(-c3ccccn3)cn2)cc1.O=C(O)c1ccc(-n2cc(-c3cnccn3)cn2)cc1.O=C(O)c1cccc(-n2cc(-c3ccc4ccccc4n3)cn2)c1.O=C(O)c1cccc(-n2cc(-c3ccccn3)cn2)c1.O=C(O)c1cccc(-n2cc(-c3cnc4ccccc4n3)cn2)c1.O=C(O)c1cccc(-n2cc(-c3cnccn3)cn2)c1.O=C(O)c1cccc(-n2cc(-c3nc4ccccc4o3)cn2)c1
InChIInChI=1S/C19H13N3O2.C18H12N4O2.C17H11N3O3.2C15H11N3O2.2C14H10N4O2/c23-19(24)14-5-3-6-16(10-14)22-12-15(11-20-22)18-9-8-13-4-1-2-7-17(13)21-18;23-18(24)12-4-3-5-14(8-12)22-11-13(9-20-22)17-10-19-15-6-1-2-7-16(15)21-17;21-17(22)11-4-3-5-13(8-11)20-10-12(9-18-20)16-19-14-6-1-2-7-15(14)23-16;19-15(20)11-4-3-5-13(8-11)18-10-12(9-17-18)14-6-1-2-7-16-14;19-15(20)11-4-6-13(7-5-11)18-10-12(9-17-18)14-3-1-2-8-16-14;19-14(20)10-1-3-12(4-2-10)18-9-11(7-17-18)13-8-15-5-6-16-13;19-14(20)10-2-1-3-12(6-10)18-9-11(7-17-18)13-8-15-4-5-16-13/h1-12H,(H,23,24);1-11H,(H,23,24);1-10H,(H,21,22);2*1-10H,(H,19,20);2*1-9H,(H,19,20)
InChIKeyFEJQZKFBPWVANE-UHFFFAOYSA-N
MW2000.01 g/mol
LogP19.67
Rot. Bonds21

About 3-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoic acid;3-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;3-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinoxalin-2-ylpyrazol-1-yl)benzoic acid

3-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoic acid;3-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;3-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinoxalin-2-ylpyrazol-1-yl)benzoic acid (PubChem CID 158006772) has the molecular formula C112H78N24O15 and a molecular weight of 2000.01 g/mol. Its IUPAC name is 3-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoic acid;3-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;3-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinoxalin-2-ylpyrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name3-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoic acid;3-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;3-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinoxalin-2-ylpyrazol-1-yl)benzoic acid
PubChem CID158006772
Molecular FormulaC112H78N24O15
Molecular Weight2000.01 g/mol
Exact Mass1998.61
IUPAC Name3-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoic acid;3-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;3-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinoxalin-2-ylpyrazol-1-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2cc(-c3ccccn3)cn2)cc1.O=C(O)c1ccc(-n2cc(-c3cnccn3)cn2)cc1.O=C(O)c1cccc(-n2cc(-c3ccc4ccccc4n3)cn2)c1.O=C(O)c1cccc(-n2cc(-c3ccccn3)cn2)c1.O=C(O)c1cccc(-n2cc(-c3cnc4ccccc4n3)cn2)c1.O=C(O)c1cccc(-n2cc(-c3cnccn3)cn2)c1.O=C(O)c1cccc(-n2cc(-c3nc4ccccc4o3)cn2)c1
InChIInChI=1S/C19H13N3O2.C18H12N4O2.C17H11N3O3.2C15H11N3O2.2C14H10N4O2/c23-19(24)14-5-3-6-16(10-14)22-12-15(11-20-22)18-9-8-13-4-1-2-7-17(13)21-18;23-18(24)12-4-3-5-14(8-12)22-11-13(9-20-22)17-10-19-15-6-1-2-7-16(15)21-17;21-17(22)11-4-3-5-13(8-11)20-10-12(9-18-20)16-19-14-6-1-2-7-15(14)23-16;19-15(20)11-4-3-5-13(8-11)18-10-12(9-17-18)14-6-1-2-7-16-14;19-15(20)11-4-6-13(7-5-11)18-10-12(9-17-18)14-3-1-2-8-16-14;19-14(20)10-1-3-12(4-2-10)18-9-11(7-17-18)13-8-15-5-6-16-13;19-14(20)10-2-1-3-12(6-10)18-9-11(7-17-18)13-8-15-4-5-16-13/h1-12H,(H,23,24);1-11H,(H,23,24);1-10H,(H,21,22);2*1-10H,(H,19,20);2*1-9H,(H,19,20)
InChIKeyFEJQZKFBPWVANE-UHFFFAOYSA-N
XLogP19.67
TPSA527.88 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds21
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002000.01
LogP ≤ 519.67
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze 3-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoic acid;3-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;3-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinoxalin-2-ylpyrazol-1-yl)benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoic acid;3-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;3-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinoxalin-2-ylpyrazol-1-yl)benzoic acid?
The IUPAC name of 3-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoic acid;3-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;3-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinoxalin-2-ylpyrazol-1-yl)benzoic acid (CID 158006772) is 3-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoic acid;3-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;3-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinoxalin-2-ylpyrazol-1-yl)benzoic acid.
What is the SMILES notation for 3-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoic acid;3-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;3-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinoxalin-2-ylpyrazol-1-yl)benzoic acid?
The canonical SMILES for 3-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoic acid;3-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;3-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinoxalin-2-ylpyrazol-1-yl)benzoic acid is O=C(O)c1ccc(-n2cc(-c3ccccn3)cn2)cc1.O=C(O)c1ccc(-n2cc(-c3cnccn3)cn2)cc1.O=C(O)c1cccc(-n2cc(-c3ccc4ccccc4n3)cn2)c1.O=C(O)c1cccc(-n2cc(-c3ccccn3)cn2)c1.O=C(O)c1cccc(-n2cc(-c3cnc4ccccc4n3)cn2)c1.O=C(O)c1cccc(-n2cc(-c3cnccn3)cn2)c1.O=C(O)c1cccc(-n2cc(-c3nc4ccccc4o3)cn2)c1.
What is the InChIKey of 3-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoic acid;3-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;3-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinoxalin-2-ylpyrazol-1-yl)benzoic acid?
The InChIKey is FEJQZKFBPWVANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2.C18H12N4O2.C17H11N3O3.2C15H11N3O2.2C14H10N4O2/c23-19(24)14-5-3-6-16(10-14)22-12-15(11-20-22)18-9-8-13-4-1-2-7-17(13)21-18;23-18(24)12-4-3-5-14(8-12)22-11-13(9-20-22)17-10-19-15-6-1-2-7-16(15)21-17;21-17(22)11-4-3-5-13(8-11)20-10-12(9-18-20)16-19-14-6-1-2-7-15(14)23-16;19-15(20)11-4-3-5-13(8-11)18-10-12(9-17-18)14-6-1-2-7-16-14;19-15(20)11-4-6-13(7-5-11)18-10-12(9-17-18)14-3-1-2-8-16-14;19-14(20)10-1-3-12(4-2-10)18-9-11(7-17-18)13-8-15-5-6-16-13;19-14(20)10-2-1-3-12(6-10)18-9-11(7-17-18)13-8-15-4-5-16-13/h1-12H,(H,23,24);1-11H,(H,23,24);1-10H,(H,21,22);2*1-10H,(H,19,20);2*1-9H,(H,19,20).
What are the key properties of 3-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoic acid;3-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;3-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinoxalin-2-ylpyrazol-1-yl)benzoic acid?
3-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoic acid;3-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;3-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinoxalin-2-ylpyrazol-1-yl)benzoic acid has a molecular weight of 2000.01 g/mol, XLogP of 19.67, 21 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]benzoic acid;3-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyrazin-2-ylpyrazol-1-yl)benzoic acid;3-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;4-(4-pyridin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinolin-2-ylpyrazol-1-yl)benzoic acid;3-(4-quinoxalin-2-ylpyrazol-1-yl)benzoic acid is sourced from PubChem (CID 158006772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).