tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt

C36H45CoN9 — CID 157199810

IUPACtris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt
SMILESCC(C)(C)c1ccnc(-n2cccn2)c1.CC(C)(C)c1ccnc(-n2cccn2)c1.CC(C)(C)c1ccnc(-n2cccn2)c1.[Co]
InChIInChI=1S/3C12H15N3.Co/c3*1-12(2,3)10-5-7-13-11(9-10)15-8-4-6-14-15;/h3*4-9H,1-3H3;
InChIKeyAQRCCOMVPNLJFD-UHFFFAOYSA-N
MW662.75 g/mol
LogP7.69
Rot. Bonds3

About tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt

tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt (PubChem CID 157199810) has the molecular formula C36H45CoN9 and a molecular weight of 662.75 g/mol. Its IUPAC name is tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt.

Molecular Properties

Compound Nametris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt
PubChem CID157199810
Molecular FormulaC36H45CoN9
Molecular Weight662.75 g/mol
Exact Mass662.31
IUPAC Nametris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt
SMILESCC(C)(C)c1ccnc(-n2cccn2)c1.CC(C)(C)c1ccnc(-n2cccn2)c1.CC(C)(C)c1ccnc(-n2cccn2)c1.[Co]
InChIInChI=1S/3C12H15N3.Co/c3*1-12(2,3)10-5-7-13-11(9-10)15-8-4-6-14-15;/h3*4-9H,1-3H3;
InChIKeyAQRCCOMVPNLJFD-UHFFFAOYSA-N
XLogP7.69
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.75
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt?
The IUPAC name of tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt (CID 157199810) is tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt.
What is the SMILES notation for tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt?
The canonical SMILES for tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt is CC(C)(C)c1ccnc(-n2cccn2)c1.CC(C)(C)c1ccnc(-n2cccn2)c1.CC(C)(C)c1ccnc(-n2cccn2)c1.[Co].
What is the InChIKey of tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt?
The InChIKey is AQRCCOMVPNLJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H15N3.Co/c3*1-12(2,3)10-5-7-13-11(9-10)15-8-4-6-14-15;/h3*4-9H,1-3H3;.
What are the key properties of tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt?
tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt has a molecular weight of 662.75 g/mol, XLogP of 7.69, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt is sourced from PubChem (CID 157199810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).