1,5-bis(3,5-dimethylpyrazol-1-yl)pentane-1,5-dione

C15H20N4O2 — CID 1122116

IUPAC1,5-bis(3,5-dimethylpyrazol-1-yl)pentane-1,5-dione
SMILESCc1cc(C)n(C(=O)CCCC(=O)n2nc(C)cc2C)n1
InChIInChI=1S/C15H20N4O2/c1-10-8-12(3)18(16-10)14(20)6-5-7-15(21)19-13(4)9-11(2)17-19/h8-9H,5-7H2,1-4H3
InChIKeyHJGABLDUGUASNB-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.46
Rot. Bonds4

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

1,5-bis(3,5-dimethylpyrazol-1-yl)pentane-1,5-dione (PubChem CID 1122116) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1,5-bis(3,5-dimethylpyrazol-1-yl)pentane-1,5-dione.

Molecular Properties

Compound Name1,5-bis(3,5-dimethylpyrazol-1-yl)pentane-1,5-dione
PubChem CID1122116
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1,5-bis(3,5-dimethylpyrazol-1-yl)pentane-1,5-dione
SMILESCc1cc(C)n(C(=O)CCCC(=O)n2nc(C)cc2C)n1
InChIInChI=1S/C15H20N4O2/c1-10-8-12(3)18(16-10)14(20)6-5-7-15(21)19-13(4)9-11(2)17-19/h8-9H,5-7H2,1-4H3
InChIKeyHJGABLDUGUASNB-UHFFFAOYSA-N
XLogP2.46
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(3,5-dimethylpyrazol-1-yl)pentane-1,5-dione?
The IUPAC name of 1,5-bis(3,5-dimethylpyrazol-1-yl)pentane-1,5-dione (CID 1122116) is 1,5-bis(3,5-dimethylpyrazol-1-yl)pentane-1,5-dione.
What is the SMILES notation for 1,5-bis(3,5-dimethylpyrazol-1-yl)pentane-1,5-dione?
The canonical SMILES for 1,5-bis(3,5-dimethylpyrazol-1-yl)pentane-1,5-dione is Cc1cc(C)n(C(=O)CCCC(=O)n2nc(C)cc2C)n1.
What is the InChIKey of 1,5-bis(3,5-dimethylpyrazol-1-yl)pentane-1,5-dione?
The InChIKey is HJGABLDUGUASNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-8-12(3)18(16-10)14(20)6-5-7-15(21)19-13(4)9-11(2)17-19/h8-9H,5-7H2,1-4H3.
What are the key properties of 1,5-bis(3,5-dimethylpyrazol-1-yl)pentane-1,5-dione?
1,5-bis(3,5-dimethylpyrazol-1-yl)pentane-1,5-dione has a molecular weight of 288.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(3,5-dimethylpyrazol-1-yl)pentane-1,5-dione is sourced from PubChem (CID 1122116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).