3,5-dimethyl-1-[[2,4,5-tris[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole

C30H38N8 — CID 15190544

IUPAC3,5-dimethyl-1-[[2,4,5-tris[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole
SMILESCc1cc(C)n(Cc2cc(Cn3nc(C)cc3C)c(Cn3nc(C)cc3C)cc2Cn2nc(C)cc2C)n1
InChIInChI=1S/C30H38N8/c1-19-9-23(5)35(31-19)15-27-13-29(17-37-25(7)11-21(3)33-37)30(18-38-26(8)12-22(4)34-38)14-28(27)16-36-24(6)10-20(2)32-36/h9-14H,15-18H2,1-8H3
InChIKeyWNOQCZWIOVTVBU-UHFFFAOYSA-N
MW510.69 g/mol
LogP5.13
Rot. Bonds8

About 3,5-dimethyl-1-[[2,4,5-tris[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole

3,5-dimethyl-1-[[2,4,5-tris[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole (PubChem CID 15190544) has the molecular formula C30H38N8 and a molecular weight of 510.69 g/mol. Its IUPAC name is 3,5-dimethyl-1-[[2,4,5-tris[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[[2,4,5-tris[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole
PubChem CID15190544
Molecular FormulaC30H38N8
Molecular Weight510.69 g/mol
Exact Mass510.32
IUPAC Name3,5-dimethyl-1-[[2,4,5-tris[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole
SMILESCc1cc(C)n(Cc2cc(Cn3nc(C)cc3C)c(Cn3nc(C)cc3C)cc2Cn2nc(C)cc2C)n1
InChIInChI=1S/C30H38N8/c1-19-9-23(5)35(31-19)15-27-13-29(17-37-25(7)11-21(3)33-37)30(18-38-26(8)12-22(4)34-38)14-28(27)16-36-24(6)10-20(2)32-36/h9-14H,15-18H2,1-8H3
InChIKeyWNOQCZWIOVTVBU-UHFFFAOYSA-N
XLogP5.13
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.69
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[[2,4,5-tris[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole?
The IUPAC name of 3,5-dimethyl-1-[[2,4,5-tris[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole (CID 15190544) is 3,5-dimethyl-1-[[2,4,5-tris[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[[2,4,5-tris[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole?
The canonical SMILES for 3,5-dimethyl-1-[[2,4,5-tris[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole is Cc1cc(C)n(Cc2cc(Cn3nc(C)cc3C)c(Cn3nc(C)cc3C)cc2Cn2nc(C)cc2C)n1.
What is the InChIKey of 3,5-dimethyl-1-[[2,4,5-tris[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole?
The InChIKey is WNOQCZWIOVTVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N8/c1-19-9-23(5)35(31-19)15-27-13-29(17-37-25(7)11-21(3)33-37)30(18-38-26(8)12-22(4)34-38)14-28(27)16-36-24(6)10-20(2)32-36/h9-14H,15-18H2,1-8H3.
What are the key properties of 3,5-dimethyl-1-[[2,4,5-tris[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole?
3,5-dimethyl-1-[[2,4,5-tris[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole has a molecular weight of 510.69 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[[2,4,5-tris[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole is sourced from PubChem (CID 15190544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).