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

C11H10N2O3 — CID 106758299

IUPAC1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione
SMILESCn1nccc1C(=O)CC(=O)c1ccco1
InChIInChI=1S/C11H10N2O3/c1-13-8(4-5-12-13)9(14)7-10(15)11-3-2-6-16-11/h2-6H,7H2,1H3
InChIKeyLPAKGCFBDSBLMK-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.47
Rot. Bonds4

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

1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione (PubChem CID 106758299) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione
PubChem CID106758299
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione
SMILESCn1nccc1C(=O)CC(=O)c1ccco1
InChIInChI=1S/C11H10N2O3/c1-13-8(4-5-12-13)9(14)7-10(15)11-3-2-6-16-11/h2-6H,7H2,1H3
InChIKeyLPAKGCFBDSBLMK-UHFFFAOYSA-N
XLogP1.47
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007384
4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentane-1,3-dione
CID 106758284
methyl 4-(2-methylpyrazol-3-yl)-2,4-dioxobutanoate
CID 25248220
ethane;1-(furan-2-yl)butane-1,3-dione
CID 145463409
1-(furan-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 62717295
calcium;1-(furan-2-yl)butane-1,3-dione;hydride
CID 173386868
1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 62875308
4-(2-methylpyrazol-3-yl)-4-oxobutanoic acid
CID 82407999
4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 90929550
N-[2-(furan-2-yl)-2-methylpropyl]-2-methylpyrazole-3-carboxamide
CID 110467125
3-(2-methylpyrazol-3-yl)-3-oxopropanenitrile
CID 82417604
4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one
CID 58394964

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione?
The IUPAC name of 1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione (CID 106758299) is 1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione.
What is the SMILES notation for 1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione?
The canonical SMILES for 1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione is Cn1nccc1C(=O)CC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione?
The InChIKey is LPAKGCFBDSBLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-13-8(4-5-12-13)9(14)7-10(15)11-3-2-6-16-11/h2-6H,7H2,1H3.
What are the key properties of 1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione?
1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione has a molecular weight of 218.21 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propane-1,3-dione is sourced from PubChem (CID 106758299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).