2,6-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine

C19H25N5 — CID 71406599

IUPAC2,6-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine
SMILESCc1nn(Cc2cccc(Cn3nc(C)c(C)c3C)n2)c(C)c1C
InChIInChI=1S/C19H25N5/c1-12-14(3)21-23(16(12)5)10-18-8-7-9-19(20-18)11-24-17(6)13(2)15(4)22-24/h7-9H,10-11H2,1-6H3
InChIKeyWHTPDNOIVPSQOC-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.42
Rot. Bonds4

About 2,6-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine

2,6-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine (PubChem CID 71406599) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2,6-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2,6-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine
PubChem CID71406599
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name2,6-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine
SMILESCc1nn(Cc2cccc(Cn3nc(C)c(C)c3C)n2)c(C)c1C
InChIInChI=1S/C19H25N5/c1-12-14(3)21-23(16(12)5)10-18-8-7-9-19(20-18)11-24-17(6)13(2)15(4)22-24/h7-9H,10-11H2,1-6H3
InChIKeyWHTPDNOIVPSQOC-UHFFFAOYSA-N
XLogP3.42
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine?
The IUPAC name of 2,6-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine (CID 71406599) is 2,6-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2,6-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 2,6-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine is Cc1nn(Cc2cccc(Cn3nc(C)c(C)c3C)n2)c(C)c1C.
What is the InChIKey of 2,6-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine?
The InChIKey is WHTPDNOIVPSQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-12-14(3)21-23(16(12)5)10-18-8-7-9-19(20-18)11-24-17(6)13(2)15(4)22-24/h7-9H,10-11H2,1-6H3.
What are the key properties of 2,6-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine?
2,6-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine has a molecular weight of 323.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 71406599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).