3,5-dimethyl-1-[2,4,5-tris(3,5-dimethylpyrazol-1-yl)-3,6-di(pyrazol-1-yl)phenyl]pyrazole

C32H34N12 — CID 5256864

IUPAC3,5-dimethyl-1-[2,4,5-tris(3,5-dimethylpyrazol-1-yl)-3,6-di(pyrazol-1-yl)phenyl]pyrazole
SMILESCc1cc(C)n(-c2c(-n3cccn3)c(-n3nc(C)cc3C)c(-n3nc(C)cc3C)c(-n3cccn3)c2-n2nc(C)cc2C)n1
InChIInChI=1S/C32H34N12/c1-19-15-23(5)41(35-19)29-27(39-13-9-11-33-39)31(43-25(7)17-21(3)37-43)32(44-26(8)18-22(4)38-44)28(40-14-10-12-34-40)30(29)42-24(6)16-20(2)36-42/h9-18H,1-8H3
InChIKeyWACOCGPSUZJBOZ-UHFFFAOYSA-N
MW586.71 g/mol
LogP5.27
Rot. Bonds6

About 3,5-dimethyl-1-[2,4,5-tris(3,5-dimethylpyrazol-1-yl)-3,6-di(pyrazol-1-yl)phenyl]pyrazole

3,5-dimethyl-1-[2,4,5-tris(3,5-dimethylpyrazol-1-yl)-3,6-di(pyrazol-1-yl)phenyl]pyrazole (PubChem CID 5256864) has the molecular formula C32H34N12 and a molecular weight of 586.71 g/mol. Its IUPAC name is 3,5-dimethyl-1-[2,4,5-tris(3,5-dimethylpyrazol-1-yl)-3,6-di(pyrazol-1-yl)phenyl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[2,4,5-tris(3,5-dimethylpyrazol-1-yl)-3,6-di(pyrazol-1-yl)phenyl]pyrazole
PubChem CID5256864
Molecular FormulaC32H34N12
Molecular Weight586.71 g/mol
Exact Mass586.30
IUPAC Name3,5-dimethyl-1-[2,4,5-tris(3,5-dimethylpyrazol-1-yl)-3,6-di(pyrazol-1-yl)phenyl]pyrazole
SMILESCc1cc(C)n(-c2c(-n3cccn3)c(-n3nc(C)cc3C)c(-n3nc(C)cc3C)c(-n3cccn3)c2-n2nc(C)cc2C)n1
InChIInChI=1S/C32H34N12/c1-19-15-23(5)41(35-19)29-27(39-13-9-11-33-39)31(43-25(7)17-21(3)37-43)32(44-26(8)18-22(4)38-44)28(40-14-10-12-34-40)30(29)42-24(6)16-20(2)36-42/h9-18H,1-8H3
InChIKeyWACOCGPSUZJBOZ-UHFFFAOYSA-N
XLogP5.27
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500586.71
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3,5-dimethyl-1-[2,4,5-tris(3,5-dimethylpyrazol-1-yl)-3,6-di(pyrazol-1-yl)phenyl]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hexa(1H-pyrrol-1-yl)benzene
CID 2769422
1-[2,3,4-Tri(pyrazol-1-yl)phenyl]pyrazole
CID 101467101
1-[2,4,5-Tri(pyrazol-1-yl)phenyl]pyrazole
CID 102012622
N1,N1,N3,N3-tetrakis(2-pyrazol-1-ylethyl)benzene-1,3-diamine
CID 361756
1-[2,5-Difluoro-3,4,6-tri(pyrazol-1-yl)phenyl]pyrazole
CID 85691510
Hexakis(pyrazol-1-yl)benzene
CID 12053583
2-[1-[2,4,5-Tris(3-pyridin-2-ylpyrazol-1-yl)phenyl]pyrazol-3-yl]pyridine
CID 90796114
1-[2,4-Dimethyl-3,5,6-tri(pyrazol-1-yl)phenyl]pyrazole
CID 91014769
5,10,15,20-Tetra(pyrazol-1-yl)-21,22,23,24-tetrahydroporphyrin
CID 91428846
1-[4-(3,5-Dimethylpyrazol-1-yl)-2,3,5,6-tetra(pyrazol-1-yl)phenyl]-3,5-dimethylpyrazole
CID 102091686
2-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
CID 122393617
N,N,N',N'-tetrakis[(1,5-dimethylpyrazol-3-yl)methyl]-1,4-phenylene-diamine
CID 129729310

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[2,4,5-tris(3,5-dimethylpyrazol-1-yl)-3,6-di(pyrazol-1-yl)phenyl]pyrazole?
The IUPAC name of 3,5-dimethyl-1-[2,4,5-tris(3,5-dimethylpyrazol-1-yl)-3,6-di(pyrazol-1-yl)phenyl]pyrazole (CID 5256864) is 3,5-dimethyl-1-[2,4,5-tris(3,5-dimethylpyrazol-1-yl)-3,6-di(pyrazol-1-yl)phenyl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[2,4,5-tris(3,5-dimethylpyrazol-1-yl)-3,6-di(pyrazol-1-yl)phenyl]pyrazole?
The canonical SMILES for 3,5-dimethyl-1-[2,4,5-tris(3,5-dimethylpyrazol-1-yl)-3,6-di(pyrazol-1-yl)phenyl]pyrazole is Cc1cc(C)n(-c2c(-n3cccn3)c(-n3nc(C)cc3C)c(-n3nc(C)cc3C)c(-n3cccn3)c2-n2nc(C)cc2C)n1.
What is the InChIKey of 3,5-dimethyl-1-[2,4,5-tris(3,5-dimethylpyrazol-1-yl)-3,6-di(pyrazol-1-yl)phenyl]pyrazole?
The InChIKey is WACOCGPSUZJBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N12/c1-19-15-23(5)41(35-19)29-27(39-13-9-11-33-39)31(43-25(7)17-21(3)37-43)32(44-26(8)18-22(4)38-44)28(40-14-10-12-34-40)30(29)42-24(6)16-20(2)36-42/h9-18H,1-8H3.
What are the key properties of 3,5-dimethyl-1-[2,4,5-tris(3,5-dimethylpyrazol-1-yl)-3,6-di(pyrazol-1-yl)phenyl]pyrazole?
3,5-dimethyl-1-[2,4,5-tris(3,5-dimethylpyrazol-1-yl)-3,6-di(pyrazol-1-yl)phenyl]pyrazole has a molecular weight of 586.71 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 12 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)-3,6-di(pyrazol-1-yl)phenyl]pyrazole is sourced from PubChem (CID 5256864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).