2,6-bis[bis(1H-pyrazol-5-yl)methyl]pyridine

C19H17N9 — CID 123763974

IUPAC2,6-bis[bis(1H-pyrazol-5-yl)methyl]pyridine
SMILESc1cc(C(c2ccn[nH]2)c2ccn[nH]2)nc(C(c2ccn[nH]2)c2ccn[nH]2)c1
InChIInChI=1S/C19H17N9/c1-2-12(18(14-4-8-20-25-14)15-5-9-21-26-15)24-13(3-1)19(16-6-10-22-27-16)17-7-11-23-28-17/h1-11,18-19H,(H,20,25)(H,21,26)(H,22,27)(H,23,28)
InChIKeyHFUPBKWQTYVZHV-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.33
Rot. Bonds6

About 2,6-bis[bis(1H-pyrazol-5-yl)methyl]pyridine

2,6-bis[bis(1H-pyrazol-5-yl)methyl]pyridine (PubChem CID 123763974) has the molecular formula C19H17N9 and a molecular weight of 371.41 g/mol. Its IUPAC name is 2,6-bis[bis(1H-pyrazol-5-yl)methyl]pyridine.

Molecular Properties

Compound Name2,6-bis[bis(1H-pyrazol-5-yl)methyl]pyridine
PubChem CID123763974
Molecular FormulaC19H17N9
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name2,6-bis[bis(1H-pyrazol-5-yl)methyl]pyridine
SMILESc1cc(C(c2ccn[nH]2)c2ccn[nH]2)nc(C(c2ccn[nH]2)c2ccn[nH]2)c1
InChIInChI=1S/C19H17N9/c1-2-12(18(14-4-8-20-25-14)15-5-9-21-26-15)24-13(3-1)19(16-6-10-22-27-16)17-7-11-23-28-17/h1-11,18-19H,(H,20,25)(H,21,26)(H,22,27)(H,23,28)
InChIKeyHFUPBKWQTYVZHV-UHFFFAOYSA-N
XLogP2.33
TPSA127.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-{1-methyl-4-[4-(1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093324
4-{1-methyl-4-[4-(4-methyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093325
2-(1-Methyl-1H-pyrazol-4-yl)-4-[3-(2-pyridinyl)-1H-pyrazol-4-yl]pyridine
CID 56666809
5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1H-pyrazole
CID 136607458
4-(4-(4-(4-ethyl-1H-pyrazol-3-yl)phenyl)-1-methyl-1H-pyrazol-3-yl)pyridine
CID 54581683
3-[4-(5-Pyridin-3-yl-1,2-dihydropyrazol-3-ylidene)pyrazol-3-yl]pyridine
CID 340684
2,6-Bis(pyrazol-3-yl)pyridine
CID 5323619
US10144738, Example 18
CID 130339330
US11352339, Example 194
CID 130454369
US11352339, Example 36
CID 130454373
US11352339, Example 38
CID 130454378
US11352339, Example 28
CID 130454580

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[bis(1H-pyrazol-5-yl)methyl]pyridine?
The IUPAC name of 2,6-bis[bis(1H-pyrazol-5-yl)methyl]pyridine (CID 123763974) is 2,6-bis[bis(1H-pyrazol-5-yl)methyl]pyridine.
What is the SMILES notation for 2,6-bis[bis(1H-pyrazol-5-yl)methyl]pyridine?
The canonical SMILES for 2,6-bis[bis(1H-pyrazol-5-yl)methyl]pyridine is c1cc(C(c2ccn[nH]2)c2ccn[nH]2)nc(C(c2ccn[nH]2)c2ccn[nH]2)c1.
What is the InChIKey of 2,6-bis[bis(1H-pyrazol-5-yl)methyl]pyridine?
The InChIKey is HFUPBKWQTYVZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N9/c1-2-12(18(14-4-8-20-25-14)15-5-9-21-26-15)24-13(3-1)19(16-6-10-22-27-16)17-7-11-23-28-17/h1-11,18-19H,(H,20,25)(H,21,26)(H,22,27)(H,23,28).
What are the key properties of 2,6-bis[bis(1H-pyrazol-5-yl)methyl]pyridine?
2,6-bis[bis(1H-pyrazol-5-yl)methyl]pyridine has a molecular weight of 371.41 g/mol, XLogP of 2.33, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[bis(1H-pyrazol-5-yl)methyl]pyridine is sourced from PubChem (CID 123763974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).