1,10-bis(3,5-dimethylpyrazol-1-yl)decane-1,10-dione

C20H30N4O2 — CID 2133924

IUPAC1,10-bis(3,5-dimethylpyrazol-1-yl)decane-1,10-dione
SMILESCc1cc(C)n(C(=O)CCCCCCCCC(=O)n2nc(C)cc2C)n1
InChIInChI=1S/C20H30N4O2/c1-15-13-17(3)23(21-15)19(25)11-9-7-5-6-8-10-12-20(26)24-18(4)14-16(2)22-24/h13-14H,5-12H2,1-4H3
InChIKeyDGGVAGBSVYVLOO-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.41
Rot. Bonds9

About 1,10-bis(3,5-dimethylpyrazol-1-yl)decane-1,10-dione

1,10-bis(3,5-dimethylpyrazol-1-yl)decane-1,10-dione (PubChem CID 2133924) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1,10-bis(3,5-dimethylpyrazol-1-yl)decane-1,10-dione.

Molecular Properties

Compound Name1,10-bis(3,5-dimethylpyrazol-1-yl)decane-1,10-dione
PubChem CID2133924
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1,10-bis(3,5-dimethylpyrazol-1-yl)decane-1,10-dione
SMILESCc1cc(C)n(C(=O)CCCCCCCCC(=O)n2nc(C)cc2C)n1
InChIInChI=1S/C20H30N4O2/c1-15-13-17(3)23(21-15)19(25)11-9-7-5-6-8-10-12-20(26)24-18(4)14-16(2)22-24/h13-14H,5-12H2,1-4H3
InChIKeyDGGVAGBSVYVLOO-UHFFFAOYSA-N
XLogP4.41
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,10-bis(3,5-dimethylpyrazol-1-yl)decane-1,10-dione?
The IUPAC name of 1,10-bis(3,5-dimethylpyrazol-1-yl)decane-1,10-dione (CID 2133924) is 1,10-bis(3,5-dimethylpyrazol-1-yl)decane-1,10-dione.
What is the SMILES notation for 1,10-bis(3,5-dimethylpyrazol-1-yl)decane-1,10-dione?
The canonical SMILES for 1,10-bis(3,5-dimethylpyrazol-1-yl)decane-1,10-dione is Cc1cc(C)n(C(=O)CCCCCCCCC(=O)n2nc(C)cc2C)n1.
What is the InChIKey of 1,10-bis(3,5-dimethylpyrazol-1-yl)decane-1,10-dione?
The InChIKey is DGGVAGBSVYVLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-15-13-17(3)23(21-15)19(25)11-9-7-5-6-8-10-12-20(26)24-18(4)14-16(2)22-24/h13-14H,5-12H2,1-4H3.
What are the key properties of 1,10-bis(3,5-dimethylpyrazol-1-yl)decane-1,10-dione?
1,10-bis(3,5-dimethylpyrazol-1-yl)decane-1,10-dione has a molecular weight of 358.49 g/mol, XLogP of 4.41, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-bis(3,5-dimethylpyrazol-1-yl)decane-1,10-dione is sourced from PubChem (CID 2133924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).