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

C20H18N8 — CID 91014769

IUPAC1-[2,4-dimethyl-3,5,6-tri(pyrazol-1-yl)phenyl]pyrazole
SMILESCc1c(-n2cccn2)c(C)c(-n2cccn2)c(-n2cccn2)c1-n1cccn1
InChIInChI=1S/C20H18N8/c1-15-17(25-11-3-7-21-25)16(2)19(27-13-5-9-23-27)20(28-14-6-10-24-28)18(15)26-12-4-8-22-26/h3-14H,1-2H3
InChIKeyXKDIKCPVLKOHLP-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.05
Rot. Bonds4

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

1-[2,4-dimethyl-3,5,6-tri(pyrazol-1-yl)phenyl]pyrazole (PubChem CID 91014769) has the molecular formula C20H18N8 and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-[2,4-dimethyl-3,5,6-tri(pyrazol-1-yl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[2,4-dimethyl-3,5,6-tri(pyrazol-1-yl)phenyl]pyrazole
PubChem CID91014769
Molecular FormulaC20H18N8
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name1-[2,4-dimethyl-3,5,6-tri(pyrazol-1-yl)phenyl]pyrazole
SMILESCc1c(-n2cccn2)c(C)c(-n2cccn2)c(-n2cccn2)c1-n1cccn1
InChIInChI=1S/C20H18N8/c1-15-17(25-11-3-7-21-25)16(2)19(27-13-5-9-23-27)20(28-14-6-10-24-28)18(15)26-12-4-8-22-26/h3-14H,1-2H3
InChIKeyXKDIKCPVLKOHLP-UHFFFAOYSA-N
XLogP3.05
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2,3,4-Tri(pyrazol-1-yl)phenyl]pyrazole
CID 101467101
1-[2,4,5-Tri(pyrazol-1-yl)phenyl]pyrazole
CID 102012622
1-[2,4-Dimethyl-5-(3-methylpyrazol-1-yl)phenyl]-3-methylpyrazole
CID 58965516
1-[2,5-Difluoro-3,4,6-tri(pyrazol-1-yl)phenyl]pyrazole
CID 85691510
1-[3-(3,4-Dimethylpyrazol-1-yl)-2-methyl-6-[4-[(4-methylphenyl)methyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-ethyl-5-methyl-4-(4-methylphenyl)pyrazole
CID 173137169
3,5-Dimethyl-1-[2,4,5-tris(3,5-dimethylpyrazol-1-yl)-3,6-di(pyrazol-1-yl)phenyl]pyrazole
CID 5256864
Hexakis(pyrazol-1-yl)benzene
CID 12053583
4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline
CID 91472752
1-[4-(3,5-Dimethylpyrazol-1-yl)-2,3,5,6-tetra(pyrazol-1-yl)phenyl]-3,5-dimethylpyrazole
CID 102091686
4-(Pyrazol-1-ylmethyl)-1-[[3-[[4-(pyrazol-1-ylmethyl)triazol-1-yl]methyl]phenyl]methyl]triazole
CID 102138662
1-(2-Phenyl-6-pyrazol-1-ylphenyl)pyrazole
CID 123554134
1,2-Bis((3-(5-methyl-1-(4-tolyl)-1h-1,2,3-triazol-4-yl)-1-phenyl-1h-pyrazol-4-yl)methylene)hydrazine
CID 129729318

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethyl-3,5,6-tri(pyrazol-1-yl)phenyl]pyrazole?
The IUPAC name of 1-[2,4-dimethyl-3,5,6-tri(pyrazol-1-yl)phenyl]pyrazole (CID 91014769) is 1-[2,4-dimethyl-3,5,6-tri(pyrazol-1-yl)phenyl]pyrazole.
What is the SMILES notation for 1-[2,4-dimethyl-3,5,6-tri(pyrazol-1-yl)phenyl]pyrazole?
The canonical SMILES for 1-[2,4-dimethyl-3,5,6-tri(pyrazol-1-yl)phenyl]pyrazole is Cc1c(-n2cccn2)c(C)c(-n2cccn2)c(-n2cccn2)c1-n1cccn1.
What is the InChIKey of 1-[2,4-dimethyl-3,5,6-tri(pyrazol-1-yl)phenyl]pyrazole?
The InChIKey is XKDIKCPVLKOHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8/c1-15-17(25-11-3-7-21-25)16(2)19(27-13-5-9-23-27)20(28-14-6-10-24-28)18(15)26-12-4-8-22-26/h3-14H,1-2H3.
What are the key properties of 1-[2,4-dimethyl-3,5,6-tri(pyrazol-1-yl)phenyl]pyrazole?
1-[2,4-dimethyl-3,5,6-tri(pyrazol-1-yl)phenyl]pyrazole has a molecular weight of 370.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethyl-3,5,6-tri(pyrazol-1-yl)phenyl]pyrazole is sourced from PubChem (CID 91014769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).