1-[1-(furan-2-carbonyl)-3,5-dimethylpyrazol-4-yl]ethanone

C12H12N2O3 — CID 714832

IUPAC1-[1-(furan-2-carbonyl)-3,5-dimethylpyrazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nn(C(=O)c2ccco2)c1C
InChIInChI=1S/C12H12N2O3/c1-7-11(9(3)15)8(2)14(13-7)12(16)10-5-4-6-17-10/h4-6H,1-3H3
InChIKeyHWZBGMMRLQWQOR-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.98
Rot. Bonds2

About 1-[1-(furan-2-carbonyl)-3,5-dimethylpyrazol-4-yl]ethanone

1-[1-(furan-2-carbonyl)-3,5-dimethylpyrazol-4-yl]ethanone (PubChem CID 714832) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-[1-(furan-2-carbonyl)-3,5-dimethylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(furan-2-carbonyl)-3,5-dimethylpyrazol-4-yl]ethanone
PubChem CID714832
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-[1-(furan-2-carbonyl)-3,5-dimethylpyrazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nn(C(=O)c2ccco2)c1C
InChIInChI=1S/C12H12N2O3/c1-7-11(9(3)15)8(2)14(13-7)12(16)10-5-4-6-17-10/h4-6H,1-3H3
InChIKeyHWZBGMMRLQWQOR-UHFFFAOYSA-N
XLogP1.98
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(furan-2-carbonyl)-3,5-dimethylpyrazol-4-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]furan-2-carboxamide
CID 6499777
n-(3-(3,5-Dimethyl-1h-pyrazol-1-yl)propyl)furan-2-carboxamide
CID 19293679
(4-Bromo-3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone
CID 672849
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 2080105
N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
CID 6882179
(3,5-dimethyl-1H-pyrazol-1-yl)(furan-2-yl)methanone
CID 786123
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 647271
1-(2-furoyl)-3,5-dimethyl-4-(phenylthio)-1H-pyrazole
CID 703426
3,5-dimethyl-1-(5-methyl-2-furoyl)-1H-pyrazole
CID 896671
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 2999512
ethyl 1-(2-furylcarbonyl)-3-propyl-1H-pyrazole-4-carboxylate
CID 2807780
(3,5-Dimethylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone
CID 695657

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-carbonyl)-3,5-dimethylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-(furan-2-carbonyl)-3,5-dimethylpyrazol-4-yl]ethanone (CID 714832) is 1-[1-(furan-2-carbonyl)-3,5-dimethylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(furan-2-carbonyl)-3,5-dimethylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-(furan-2-carbonyl)-3,5-dimethylpyrazol-4-yl]ethanone is CC(=O)c1c(C)nn(C(=O)c2ccco2)c1C.
What is the InChIKey of 1-[1-(furan-2-carbonyl)-3,5-dimethylpyrazol-4-yl]ethanone?
The InChIKey is HWZBGMMRLQWQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7-11(9(3)15)8(2)14(13-7)12(16)10-5-4-6-17-10/h4-6H,1-3H3.
What are the key properties of 1-[1-(furan-2-carbonyl)-3,5-dimethylpyrazol-4-yl]ethanone?
1-[1-(furan-2-carbonyl)-3,5-dimethylpyrazol-4-yl]ethanone has a molecular weight of 232.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-carbonyl)-3,5-dimethylpyrazol-4-yl]ethanone is sourced from PubChem (CID 714832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).