bis(4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine);bis(4-[4-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine)

C72H76N12 — CID 160658169

IUPACbis(4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine);bis(4-[4-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine)
SMILESCCCc1cc(-n2cc(-c3ccc(C)cc3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(C)cc3)cn2)ccn1.CCCc1cc(-n2ccc(-c3ccc(C)cc3)n2)ccn1.CCCc1cc(-n2ccc(-c3ccc(C)cc3)n2)ccn1
InChIInChI=1S/4C18H19N3/c2*1-3-4-16-13-17(9-11-19-16)21-12-10-18(20-21)15-7-5-14(2)6-8-15;2*1-3-4-17-11-18(9-10-19-17)21-13-16(12-20-21)15-7-5-14(2)6-8-15/h4*5-13H,3-4H2,1-2H3
InChIKeyRLHZMKUMJHMPOA-UHFFFAOYSA-N
MW1109.48 g/mol
LogP16.78
Rot. Bonds16

About bis(4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine);bis(4-[4-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine)

bis(4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine);bis(4-[4-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine) (PubChem CID 160658169) has the molecular formula C72H76N12 and a molecular weight of 1109.48 g/mol. Its IUPAC name is bis(4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine);bis(4-[4-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine).

Molecular Properties

Compound Namebis(4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine);bis(4-[4-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine)
PubChem CID160658169
Molecular FormulaC72H76N12
Molecular Weight1109.48 g/mol
Exact Mass1108.63
IUPAC Namebis(4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine);bis(4-[4-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine)
SMILESCCCc1cc(-n2cc(-c3ccc(C)cc3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(C)cc3)cn2)ccn1.CCCc1cc(-n2ccc(-c3ccc(C)cc3)n2)ccn1.CCCc1cc(-n2ccc(-c3ccc(C)cc3)n2)ccn1
InChIInChI=1S/4C18H19N3/c2*1-3-4-16-13-17(9-11-19-16)21-12-10-18(20-21)15-7-5-14(2)6-8-15;2*1-3-4-17-11-18(9-10-19-17)21-13-16(12-20-21)15-7-5-14(2)6-8-15/h4*5-13H,3-4H2,1-2H3
InChIKeyRLHZMKUMJHMPOA-UHFFFAOYSA-N
XLogP16.78
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001109.48
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

meso-Tetrakis(2-N-methylpyridyl)porphine
CID 135398505
5,10,15,20-Tetra(4-pyridyl)porphyrin
CID 135411729
5,10,15,20-Tetra(1-methyl-4-pyridyl)-porphyrin
CID 4234
8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-2-(1-methyl-1H-pyrazol-5-yl)-1,6-naphthyridine
CID 118660621
5,10,15,20-Tetrakis[4-(pyridin-1-ium-1-ylmethyl)phenyl]-21,22-dihydroporphyrin tetrabromide
CID 46232303
2-(1-Methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine
CID 127044488
FeTMPyP
CID 135462986
5,10,15,20-Tetra(4-pyridyl)-21H,23H-porphyrin nickel
CID 138115074
2-Methyl-6-[[4-(4-pyridin-3-ylphenyl)pyrazol-1-yl]methyl]pyridine
CID 118709783
4-[4-[10-[4-(4-Aminophenyl)phenyl]-15,20-dipyridin-4-yl-21,23-dihydroporphyrin-5-yl]phenyl]aniline
CID 137638477
5,10,15,20-Tetrakis(4-pyridyl)-21H,23H-porphine
CID 86073
Tetra(3-pyridyl)porphyrin
CID 135411730

Frequently Asked Questions

What is the IUPAC name of bis(4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine);bis(4-[4-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine)?
The IUPAC name of bis(4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine);bis(4-[4-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine) (CID 160658169) is bis(4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine);bis(4-[4-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine).
What is the SMILES notation for bis(4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine);bis(4-[4-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine)?
The canonical SMILES for bis(4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine);bis(4-[4-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine) is CCCc1cc(-n2cc(-c3ccc(C)cc3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(C)cc3)cn2)ccn1.CCCc1cc(-n2ccc(-c3ccc(C)cc3)n2)ccn1.CCCc1cc(-n2ccc(-c3ccc(C)cc3)n2)ccn1.
What is the InChIKey of bis(4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine);bis(4-[4-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine)?
The InChIKey is RLHZMKUMJHMPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H19N3/c2*1-3-4-16-13-17(9-11-19-16)21-12-10-18(20-21)15-7-5-14(2)6-8-15;2*1-3-4-17-11-18(9-10-19-17)21-13-16(12-20-21)15-7-5-14(2)6-8-15/h4*5-13H,3-4H2,1-2H3.
What are the key properties of bis(4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine);bis(4-[4-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine)?
bis(4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine);bis(4-[4-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine) has a molecular weight of 1109.48 g/mol, XLogP of 16.78, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[3-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine);bis(4-[4-(4-methylphenyl)pyrazol-1-yl]-2-propylpyridine) is sourced from PubChem (CID 160658169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).