1-[bis(5-methyl-3-phenylpyrazol-1-yl)methyl]-5-methyl-3-phenylpyrazole

C31H28N6 — CID 11215888

IUPAC1-[bis(5-methyl-3-phenylpyrazol-1-yl)methyl]-5-methyl-3-phenylpyrazole
SMILESCc1cc(-c2ccccc2)nn1C(n1nc(-c2ccccc2)cc1C)n1nc(-c2ccccc2)cc1C
InChIInChI=1S/C31H28N6/c1-22-19-28(25-13-7-4-8-14-25)32-35(22)31(36-23(2)20-29(33-36)26-15-9-5-10-16-26)37-24(3)21-30(34-37)27-17-11-6-12-18-27/h4-21,31H,1-3H3
InChIKeyJURVEONUNCUZRN-UHFFFAOYSA-N
MW484.61 g/mol
LogP6.76
Rot. Bonds6

About 1-[bis(5-methyl-3-phenylpyrazol-1-yl)methyl]-5-methyl-3-phenylpyrazole

1-[bis(5-methyl-3-phenylpyrazol-1-yl)methyl]-5-methyl-3-phenylpyrazole (PubChem CID 11215888) has the molecular formula C31H28N6 and a molecular weight of 484.61 g/mol. Its IUPAC name is 1-[bis(5-methyl-3-phenylpyrazol-1-yl)methyl]-5-methyl-3-phenylpyrazole.

Molecular Properties

Compound Name1-[bis(5-methyl-3-phenylpyrazol-1-yl)methyl]-5-methyl-3-phenylpyrazole
PubChem CID11215888
Molecular FormulaC31H28N6
Molecular Weight484.61 g/mol
Exact Mass484.24
IUPAC Name1-[bis(5-methyl-3-phenylpyrazol-1-yl)methyl]-5-methyl-3-phenylpyrazole
SMILESCc1cc(-c2ccccc2)nn1C(n1nc(-c2ccccc2)cc1C)n1nc(-c2ccccc2)cc1C
InChIInChI=1S/C31H28N6/c1-22-19-28(25-13-7-4-8-14-25)32-35(22)31(36-23(2)20-29(33-36)26-15-9-5-10-16-26)37-24(3)21-30(34-37)27-17-11-6-12-18-27/h4-21,31H,1-3H3
InChIKeyJURVEONUNCUZRN-UHFFFAOYSA-N
XLogP6.76
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.61
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(5-methyl-3-phenylpyrazol-1-yl)methyl]-5-methyl-3-phenylpyrazole?
The IUPAC name of 1-[bis(5-methyl-3-phenylpyrazol-1-yl)methyl]-5-methyl-3-phenylpyrazole (CID 11215888) is 1-[bis(5-methyl-3-phenylpyrazol-1-yl)methyl]-5-methyl-3-phenylpyrazole.
What is the SMILES notation for 1-[bis(5-methyl-3-phenylpyrazol-1-yl)methyl]-5-methyl-3-phenylpyrazole?
The canonical SMILES for 1-[bis(5-methyl-3-phenylpyrazol-1-yl)methyl]-5-methyl-3-phenylpyrazole is Cc1cc(-c2ccccc2)nn1C(n1nc(-c2ccccc2)cc1C)n1nc(-c2ccccc2)cc1C.
What is the InChIKey of 1-[bis(5-methyl-3-phenylpyrazol-1-yl)methyl]-5-methyl-3-phenylpyrazole?
The InChIKey is JURVEONUNCUZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6/c1-22-19-28(25-13-7-4-8-14-25)32-35(22)31(36-23(2)20-29(33-36)26-15-9-5-10-16-26)37-24(3)21-30(34-37)27-17-11-6-12-18-27/h4-21,31H,1-3H3.
What are the key properties of 1-[bis(5-methyl-3-phenylpyrazol-1-yl)methyl]-5-methyl-3-phenylpyrazole?
1-[bis(5-methyl-3-phenylpyrazol-1-yl)methyl]-5-methyl-3-phenylpyrazole has a molecular weight of 484.61 g/mol, XLogP of 6.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(5-methyl-3-phenylpyrazol-1-yl)methyl]-5-methyl-3-phenylpyrazole is sourced from PubChem (CID 11215888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).