1-[bis[3-(4-methoxyphenyl)-5-methylpyrazol-1-yl]methyl]-3-(4-methoxyphenyl)-5-methylpyrazole;2-[1-[bis(5-methyl-3-pyridin-2-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine

C62H59N15O3 — CID 87391040

IUPAC1-[bis[3-(4-methoxyphenyl)-5-methylpyrazol-1-yl]methyl]-3-(4-methoxyphenyl)-5-methylpyrazole;2-[1-[bis(5-methyl-3-pyridin-2-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine
SMILESCOc1ccc(-c2cc(C)n(C(n3nc(-c4ccc(OC)cc4)cc3C)n3nc(-c4ccc(OC)cc4)cc3C)n2)cc1.Cc1cc(-c2ccccn2)nn1C(n1nc(-c2ccccn2)cc1C)n1nc(-c2ccccn2)cc1C
InChIInChI=1S/C34H34N6O3.C28H25N9/c1-22-19-31(25-7-13-28(41-4)14-8-25)35-38(22)34(39-23(2)20-32(36-39)26-9-15-29(42-5)16-10-26)40-24(3)21-33(37-40)27-11-17-30(43-6)18-12-27;1-19-16-25(22-10-4-7-13-29-22)32-35(19)28(36-20(2)17-26(33-36)23-11-5-8-14-30-23)37-21(3)18-27(34-37)24-12-6-9-15-31-24/h7-21,34H,1-6H3;4-18,28H,1-3H3
InChIKeyFFXGYMNXBTZOFA-UHFFFAOYSA-N
MW1062.26 g/mol
LogP11.72
Rot. Bonds15

About 1-[bis[3-(4-methoxyphenyl)-5-methylpyrazol-1-yl]methyl]-3-(4-methoxyphenyl)-5-methylpyrazole;2-[1-[bis(5-methyl-3-pyridin-2-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine

1-[bis[3-(4-methoxyphenyl)-5-methylpyrazol-1-yl]methyl]-3-(4-methoxyphenyl)-5-methylpyrazole;2-[1-[bis(5-methyl-3-pyridin-2-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine (PubChem CID 87391040) has the molecular formula C62H59N15O3 and a molecular weight of 1062.26 g/mol. Its IUPAC name is 1-[bis[3-(4-methoxyphenyl)-5-methylpyrazol-1-yl]methyl]-3-(4-methoxyphenyl)-5-methylpyrazole;2-[1-[bis(5-methyl-3-pyridin-2-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine.

Molecular Properties

Compound Name1-[bis[3-(4-methoxyphenyl)-5-methylpyrazol-1-yl]methyl]-3-(4-methoxyphenyl)-5-methylpyrazole;2-[1-[bis(5-methyl-3-pyridin-2-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine
PubChem CID87391040
Molecular FormulaC62H59N15O3
Molecular Weight1062.26 g/mol
Exact Mass1061.49
IUPAC Name1-[bis[3-(4-methoxyphenyl)-5-methylpyrazol-1-yl]methyl]-3-(4-methoxyphenyl)-5-methylpyrazole;2-[1-[bis(5-methyl-3-pyridin-2-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine
SMILESCOc1ccc(-c2cc(C)n(C(n3nc(-c4ccc(OC)cc4)cc3C)n3nc(-c4ccc(OC)cc4)cc3C)n2)cc1.Cc1cc(-c2ccccn2)nn1C(n1nc(-c2ccccn2)cc1C)n1nc(-c2ccccn2)cc1C
InChIInChI=1S/C34H34N6O3.C28H25N9/c1-22-19-31(25-7-13-28(41-4)14-8-25)35-38(22)34(39-23(2)20-32(36-39)26-9-15-29(42-5)16-10-26)40-24(3)21-33(37-40)27-11-17-30(43-6)18-12-27;1-19-16-25(22-10-4-7-13-29-22)32-35(19)28(36-20(2)17-26(33-36)23-11-5-8-14-30-23)37-21(3)18-27(34-37)24-12-6-9-15-31-24/h7-21,34H,1-6H3;4-18,28H,1-3H3
InChIKeyFFXGYMNXBTZOFA-UHFFFAOYSA-N
XLogP11.72
TPSA173.28 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001062.26
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1-[bis[3-(4-methoxyphenyl)-5-methylpyrazol-1-yl]methyl]-3-(4-methoxyphenyl)-5-methylpyrazole;2-[1-[bis(5-methyl-3-pyridin-2-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[bis[3-(4-methoxyphenyl)-5-methylpyrazol-1-yl]methyl]-3-(4-methoxyphenyl)-5-methylpyrazole;2-[1-[bis(5-methyl-3-pyridin-2-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine?
The IUPAC name of 1-[bis[3-(4-methoxyphenyl)-5-methylpyrazol-1-yl]methyl]-3-(4-methoxyphenyl)-5-methylpyrazole;2-[1-[bis(5-methyl-3-pyridin-2-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine (CID 87391040) is 1-[bis[3-(4-methoxyphenyl)-5-methylpyrazol-1-yl]methyl]-3-(4-methoxyphenyl)-5-methylpyrazole;2-[1-[bis(5-methyl-3-pyridin-2-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine.
What is the SMILES notation for 1-[bis[3-(4-methoxyphenyl)-5-methylpyrazol-1-yl]methyl]-3-(4-methoxyphenyl)-5-methylpyrazole;2-[1-[bis(5-methyl-3-pyridin-2-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine?
The canonical SMILES for 1-[bis[3-(4-methoxyphenyl)-5-methylpyrazol-1-yl]methyl]-3-(4-methoxyphenyl)-5-methylpyrazole;2-[1-[bis(5-methyl-3-pyridin-2-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine is COc1ccc(-c2cc(C)n(C(n3nc(-c4ccc(OC)cc4)cc3C)n3nc(-c4ccc(OC)cc4)cc3C)n2)cc1.Cc1cc(-c2ccccn2)nn1C(n1nc(-c2ccccn2)cc1C)n1nc(-c2ccccn2)cc1C.
What is the InChIKey of 1-[bis[3-(4-methoxyphenyl)-5-methylpyrazol-1-yl]methyl]-3-(4-methoxyphenyl)-5-methylpyrazole;2-[1-[bis(5-methyl-3-pyridin-2-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine?
The InChIKey is FFXGYMNXBTZOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N6O3.C28H25N9/c1-22-19-31(25-7-13-28(41-4)14-8-25)35-38(22)34(39-23(2)20-32(36-39)26-9-15-29(42-5)16-10-26)40-24(3)21-33(37-40)27-11-17-30(43-6)18-12-27;1-19-16-25(22-10-4-7-13-29-22)32-35(19)28(36-20(2)17-26(33-36)23-11-5-8-14-30-23)37-21(3)18-27(34-37)24-12-6-9-15-31-24/h7-21,34H,1-6H3;4-18,28H,1-3H3.
What are the key properties of 1-[bis[3-(4-methoxyphenyl)-5-methylpyrazol-1-yl]methyl]-3-(4-methoxyphenyl)-5-methylpyrazole;2-[1-[bis(5-methyl-3-pyridin-2-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine?
1-[bis[3-(4-methoxyphenyl)-5-methylpyrazol-1-yl]methyl]-3-(4-methoxyphenyl)-5-methylpyrazole;2-[1-[bis(5-methyl-3-pyridin-2-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine has a molecular weight of 1062.26 g/mol, XLogP of 11.72, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[3-(4-methoxyphenyl)-5-methylpyrazol-1-yl]methyl]-3-(4-methoxyphenyl)-5-methylpyrazole;2-[1-[bis(5-methyl-3-pyridin-2-ylpyrazol-1-yl)methyl]-5-methylpyrazol-3-yl]pyridine is sourced from PubChem (CID 87391040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).