1-(1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione

C11H12N4O2 — CID 106758288

IUPAC1-(1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione
SMILESCn1cc(C(=O)CC(=O)c2ccnn2C)cn1
InChIInChI=1S/C11H12N4O2/c1-14-7-8(6-13-14)10(16)5-11(17)9-3-4-12-15(9)2/h3-4,6-7H,5H2,1-2H3
InChIKeyZABCKPCDRWQJBB-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.61
Rot. Bonds4

About 1-(1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione

1-(1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione (PubChem CID 106758288) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione
PubChem CID106758288
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-(1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione
SMILESCn1cc(C(=O)CC(=O)c2ccnn2C)cn1
InChIInChI=1S/C11H12N4O2/c1-14-7-8(6-13-14)10(16)5-11(17)9-3-4-12-15(9)2/h3-4,6-7H,5H2,1-2H3
InChIKeyZABCKPCDRWQJBB-UHFFFAOYSA-N
XLogP0.61
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(1,3-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione
CID 19588111
1-methyl-5-(1-methyl-1H-pyrazole-5-carbonyl)-1H-pyrazole
CID 105100370
4,4-Dimethyl-1-(1-methyl-1h-pyrazol-3-yl)pentan-1-one
CID 10607869
1,3-Bis(1-isopropyl-1h-pyrazol-3-yl)propane-1,3-dione
CID 129876370
1,3-Bis(1-methyl-1h-pyrazol-3-yl)propane-1,3-dione
CID 129876633
1,3-bis(1,5-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione
CID 19588088
6-(2-Fluoropropan-2-yl)-5,6-dihydropyrrolo[1,2-b]pyrazol-4-one
CID 166663562
1,2-Bis(1-methylpyrazol-5-yl)ethanone
CID 14596101
1,3-bis(1-methyl-1H-pyrazol-5-yl)propane-1,3-dione
CID 19616403
1,2-Bis(1,3-dimethylpyrazol-4-yl)ethane-1,2-dione
CID 71600329
1,3-bis(1,3-dimethyl-1H-pyrazol-4-yl)-2-methylpropane-1,3-dione
CID 19588190
1-(1-methyl-1H-pyrazol-3-yl)pentane-1,3,4-trione
CID 20696795

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione (CID 106758288) is 1-(1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione is Cn1cc(C(=O)CC(=O)c2ccnn2C)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione?
The InChIKey is ZABCKPCDRWQJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-14-7-8(6-13-14)10(16)5-11(17)9-3-4-12-15(9)2/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione?
1-(1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione has a molecular weight of 232.24 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione is sourced from PubChem (CID 106758288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).