(2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone

C11H12N2O2 — CID 114972432

IUPAC(2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone
SMILESCCn1nccc1C(=O)c1coc(C)c1
InChIInChI=1S/C11H12N2O2/c1-3-13-10(4-5-12-13)11(14)9-6-8(2)15-7-9/h4-7H,3H2,1-2H3
InChIKeyUNXMQEHFXIVGPS-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.04
Rot. Bonds3

About (2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone

(2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone (PubChem CID 114972432) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone
PubChem CID114972432
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone
SMILESCCn1nccc1C(=O)c1coc(C)c1
InChIInChI=1S/C11H12N2O2/c1-3-13-10(4-5-12-13)11(14)9-6-8(2)15-7-9/h4-7H,3H2,1-2H3
InChIKeyUNXMQEHFXIVGPS-UHFFFAOYSA-N
XLogP2.04
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972423
(3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972489
[2-(aminomethyl)-4-pyridinyl]-(2-ethylpyrazol-3-yl)methanone
CID 116601777
(2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972434
2,3-dihydro-1H-inden-5-yl-(2-ethylpyrazol-3-yl)methanone
CID 114972424
(3-amino-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 116597326
1,3-dihydro-2-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanone
CID 114972403
(2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 114972492
(2-ethylpyrazol-3-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877629
naphthalen-2-yl-(2-propylpyrazol-3-yl)methanone
CID 63976981
(2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114972499
(3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972479

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone (CID 114972432) is (2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone is CCn1nccc1C(=O)c1coc(C)c1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone?
The InChIKey is UNXMQEHFXIVGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-13-10(4-5-12-13)11(14)9-6-8(2)15-7-9/h4-7H,3H2,1-2H3.
What are the key properties of (2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone?
(2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone has a molecular weight of 204.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone is sourced from PubChem (CID 114972432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).