2,6-bis[5-(2-methylpropyl)-1-propan-2-ylpyrazol-3-yl]pyridine

C25H37N5 — CID 139144099

IUPAC2,6-bis[5-(2-methylpropyl)-1-propan-2-ylpyrazol-3-yl]pyridine
SMILESCC(C)Cc1cc(-c2cccc(-c3cc(CC(C)C)n(C(C)C)n3)n2)nn1C(C)C
InChIInChI=1S/C25H37N5/c1-16(2)12-20-14-24(27-29(20)18(5)6)22-10-9-11-23(26-22)25-15-21(13-17(3)4)30(28-25)19(7)8/h9-11,14-19H,12-13H2,1-8H3
InChIKeyYHEMBAIKBNOQMY-UHFFFAOYSA-N
MW407.61 g/mol
LogP6.37
Rot. Bonds8

About 2,6-bis[5-(2-methylpropyl)-1-propan-2-ylpyrazol-3-yl]pyridine

2,6-bis[5-(2-methylpropyl)-1-propan-2-ylpyrazol-3-yl]pyridine (PubChem CID 139144099) has the molecular formula C25H37N5 and a molecular weight of 407.61 g/mol. Its IUPAC name is 2,6-bis[5-(2-methylpropyl)-1-propan-2-ylpyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2,6-bis[5-(2-methylpropyl)-1-propan-2-ylpyrazol-3-yl]pyridine
PubChem CID139144099
Molecular FormulaC25H37N5
Molecular Weight407.61 g/mol
Exact Mass407.30
IUPAC Name2,6-bis[5-(2-methylpropyl)-1-propan-2-ylpyrazol-3-yl]pyridine
SMILESCC(C)Cc1cc(-c2cccc(-c3cc(CC(C)C)n(C(C)C)n3)n2)nn1C(C)C
InChIInChI=1S/C25H37N5/c1-16(2)12-20-14-24(27-29(20)18(5)6)22-10-9-11-23(26-22)25-15-21(13-17(3)4)30(28-25)19(7)8/h9-11,14-19H,12-13H2,1-8H3
InChIKeyYHEMBAIKBNOQMY-UHFFFAOYSA-N
XLogP6.37
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.61
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[5-(2-methylpropyl)-1-propan-2-ylpyrazol-3-yl]pyridine?
The IUPAC name of 2,6-bis[5-(2-methylpropyl)-1-propan-2-ylpyrazol-3-yl]pyridine (CID 139144099) is 2,6-bis[5-(2-methylpropyl)-1-propan-2-ylpyrazol-3-yl]pyridine.
What is the SMILES notation for 2,6-bis[5-(2-methylpropyl)-1-propan-2-ylpyrazol-3-yl]pyridine?
The canonical SMILES for 2,6-bis[5-(2-methylpropyl)-1-propan-2-ylpyrazol-3-yl]pyridine is CC(C)Cc1cc(-c2cccc(-c3cc(CC(C)C)n(C(C)C)n3)n2)nn1C(C)C.
What is the InChIKey of 2,6-bis[5-(2-methylpropyl)-1-propan-2-ylpyrazol-3-yl]pyridine?
The InChIKey is YHEMBAIKBNOQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5/c1-16(2)12-20-14-24(27-29(20)18(5)6)22-10-9-11-23(26-22)25-15-21(13-17(3)4)30(28-25)19(7)8/h9-11,14-19H,12-13H2,1-8H3.
What are the key properties of 2,6-bis[5-(2-methylpropyl)-1-propan-2-ylpyrazol-3-yl]pyridine?
2,6-bis[5-(2-methylpropyl)-1-propan-2-ylpyrazol-3-yl]pyridine has a molecular weight of 407.61 g/mol, XLogP of 6.37, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[5-(2-methylpropyl)-1-propan-2-ylpyrazol-3-yl]pyridine is sourced from PubChem (CID 139144099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).