1-[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetra(pyrazol-1-yl)phenyl]-3,5-dimethylpyrazole

C28H26N12 — CID 102091686

IUPAC1-[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetra(pyrazol-1-yl)phenyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2c(-n3cccn3)c(-n3cccn3)c(-n3nc(C)cc3C)c(-n3cccn3)c2-n2cccn2)n1
InChIInChI=1S/C28H26N12/c1-19-17-21(3)39(33-19)27-23(35-13-5-9-29-35)25(37-15-7-11-31-37)28(40-22(4)18-20(2)34-40)26(38-16-8-12-32-38)24(27)36-14-6-10-30-36/h5-18H,1-4H3
InChIKeyBRJPRZSOTSZVAE-UHFFFAOYSA-N
MW530.60 g/mol
LogP4.03
Rot. Bonds6

About 1-[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetra(pyrazol-1-yl)phenyl]-3,5-dimethylpyrazole

1-[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetra(pyrazol-1-yl)phenyl]-3,5-dimethylpyrazole (PubChem CID 102091686) has the molecular formula C28H26N12 and a molecular weight of 530.60 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetra(pyrazol-1-yl)phenyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetra(pyrazol-1-yl)phenyl]-3,5-dimethylpyrazole
PubChem CID102091686
Molecular FormulaC28H26N12
Molecular Weight530.60 g/mol
Exact Mass530.24
IUPAC Name1-[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetra(pyrazol-1-yl)phenyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2c(-n3cccn3)c(-n3cccn3)c(-n3nc(C)cc3C)c(-n3cccn3)c2-n2cccn2)n1
InChIInChI=1S/C28H26N12/c1-19-17-21(3)39(33-19)27-23(35-13-5-9-29-35)25(37-15-7-11-31-37)28(40-22(4)18-20(2)34-40)26(38-16-8-12-32-38)24(27)36-14-6-10-30-36/h5-18H,1-4H3
InChIKeyBRJPRZSOTSZVAE-UHFFFAOYSA-N
XLogP4.03
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.60
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetra(pyrazol-1-yl)phenyl]-3,5-dimethylpyrazole with MolForge

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Related Compounds

Hexa(1H-pyrrol-1-yl)benzene
CID 2769422
1-Phenyl-3-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]pyrazole
CID 53602699
1-phenyl-4-{[2-(1H-pyrazol-1-ylmethyl)-1-pyrrolidinyl]methyl}-1H-1,2,3-triazole
CID 56780459
4-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-pyrrolidinyl]methyl}-1-phenyl-1H-1,2,3-triazole
CID 56894465
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
4-(3-Methylpyrazol-1-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]aniline
CID 67477009
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
1,3,5-Tris(pyrazol-1-yl) benzene
CID 12645020

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetra(pyrazol-1-yl)phenyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetra(pyrazol-1-yl)phenyl]-3,5-dimethylpyrazole (CID 102091686) is 1-[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetra(pyrazol-1-yl)phenyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetra(pyrazol-1-yl)phenyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetra(pyrazol-1-yl)phenyl]-3,5-dimethylpyrazole is Cc1cc(C)n(-c2c(-n3cccn3)c(-n3cccn3)c(-n3nc(C)cc3C)c(-n3cccn3)c2-n2cccn2)n1.
What is the InChIKey of 1-[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetra(pyrazol-1-yl)phenyl]-3,5-dimethylpyrazole?
The InChIKey is BRJPRZSOTSZVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N12/c1-19-17-21(3)39(33-19)27-23(35-13-5-9-29-35)25(37-15-7-11-31-37)28(40-22(4)18-20(2)34-40)26(38-16-8-12-32-38)24(27)36-14-6-10-30-36/h5-18H,1-4H3.
What are the key properties of 1-[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetra(pyrazol-1-yl)phenyl]-3,5-dimethylpyrazole?
1-[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetra(pyrazol-1-yl)phenyl]-3,5-dimethylpyrazole has a molecular weight of 530.60 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetra(pyrazol-1-yl)phenyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 102091686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).