2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine

C27H33N9 — CID 102040927

IUPAC2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine
SMILESCc1cc(C)n(C(c2cccc(C(n3nc(C)cc3C)n3nc(C)cc3C)n2)n2nc(C)cc2C)n1
InChIInChI=1S/C27H33N9/c1-16-12-20(5)33(29-16)26(34-21(6)13-17(2)30-34)24-10-9-11-25(28-24)27(35-22(7)14-18(3)31-35)36-23(8)15-19(4)32-36/h9-15,26-27H,1-8H3
InChIKeyOWEVZYXKSIDLIK-UHFFFAOYSA-N
MW483.62 g/mol
LogP4.53
Rot. Bonds6

About 2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine

2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine (PubChem CID 102040927) has the molecular formula C27H33N9 and a molecular weight of 483.62 g/mol. Its IUPAC name is 2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine
PubChem CID102040927
Molecular FormulaC27H33N9
Molecular Weight483.62 g/mol
Exact Mass483.29
IUPAC Name2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine
SMILESCc1cc(C)n(C(c2cccc(C(n3nc(C)cc3C)n3nc(C)cc3C)n2)n2nc(C)cc2C)n1
InChIInChI=1S/C27H33N9/c1-16-12-20(5)33(29-16)26(34-21(6)13-17(2)30-34)24-10-9-11-25(28-24)27(35-22(7)14-18(3)31-35)36-23(8)15-19(4)32-36/h9-15,26-27H,1-8H3
InChIKeyOWEVZYXKSIDLIK-UHFFFAOYSA-N
XLogP4.53
TPSA84.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N,N,N',N'-tetrakis[(3,5-dimethylpyrazol-1-yl)methyl]-1,4-phenylenediamine
CID 404575
2-[Bis(1H-pyrazol-1-yl)methyl]pyridine
CID 15246036
2-[Bis(3-tert-butylpyrazol-1-yl)methyl]pyridine
CID 46918448
2,6-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)pyridine
CID 12975816
1H-Pyrazol-1-yl-N-(1H-pyrazol-1-ylmethyl)-N-(2-pyridinylmethyl)methanamine
CID 361764
2-[Bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 15246044
N,N-bis(3,5-dimethylpyrazol-1-ylmethyl)aminomethylpyridine
CID 54753666
2,6-Bis[(3,4,5-trimethyl-1H-pyrazol-1-yl)methyl]pyridine
CID 71406599
2-[1-(dimethylamino)-5-[1-(dimethylamino)pyrrol-2-yl]pyrrol-2-yl]-5-[1-(dimethylamino)pyrrol-2-yl]-N,N-dimethylpyrrol-1-amine
CID 101375652
1,4-Bis[bis(3,5-dimethyl-1h-pyrazol-1-yl)methyl]benzene
CID 101482825
m-Bis[bis(3,5-dimethyl-1-pyrazolyl)-methyl]benzene
CID 102293113
2,6-Bis[di(pyrazol-1-yl)methyl]pyridine
CID 102479602

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The IUPAC name of 2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine (CID 102040927) is 2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine is Cc1cc(C)n(C(c2cccc(C(n3nc(C)cc3C)n3nc(C)cc3C)n2)n2nc(C)cc2C)n1.
What is the InChIKey of 2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The InChIKey is OWEVZYXKSIDLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N9/c1-16-12-20(5)33(29-16)26(34-21(6)13-17(2)30-34)24-10-9-11-25(28-24)27(35-22(7)14-18(3)31-35)36-23(8)15-19(4)32-36/h9-15,26-27H,1-8H3.
What are the key properties of 2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine?
2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine has a molecular weight of 483.62 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 102040927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).