(5-ethylfuran-2-yl)-(2-methylpyrazol-3-yl)methanone

C11H12N2O2 — CID 114972553

IUPAC(5-ethylfuran-2-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCCc1ccc(C(=O)c2ccnn2C)o1
InChIInChI=1S/C11H12N2O2/c1-3-8-4-5-10(15-8)11(14)9-6-7-12-13(9)2/h4-7H,3H2,1-2H3
InChIKeyMTYWZNHJWTVWDJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.81
Rot. Bonds3

About (5-ethylfuran-2-yl)-(2-methylpyrazol-3-yl)methanone

(5-ethylfuran-2-yl)-(2-methylpyrazol-3-yl)methanone (PubChem CID 114972553) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)-(2-methylpyrazol-3-yl)methanone
PubChem CID114972553
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(5-ethylfuran-2-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCCc1ccc(C(=O)c2ccnn2C)o1
InChIInChI=1S/C11H12N2O2/c1-3-8-4-5-10(15-8)11(14)9-6-7-12-13(9)2/h4-7H,3H2,1-2H3
InChIKeyMTYWZNHJWTVWDJ-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 114972567
(5-chlorofuran-2-yl)-(5-ethylfuran-2-yl)methanone
CID 106683821
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
(2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone
CID 63960953
(2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 114972636
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanone
CID 115805217
2-(5-ethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone
CID 105117770
2-(5-bromofuran-2-yl)-1-(2-methylpyrazol-3-yl)ethanone
CID 130964771
1-(2-methylpyrazol-3-yl)ethanone;hydrobromide
CID 140678632
(5-fluoro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 105132324
1-(5-ethylfuran-2-yl)butan-1-one
CID 62344781
fluoro 2-methylpyrazole-3-carboxylate
CID 142292454

Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of (5-ethylfuran-2-yl)-(2-methylpyrazol-3-yl)methanone (CID 114972553) is (5-ethylfuran-2-yl)-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (5-ethylfuran-2-yl)-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for (5-ethylfuran-2-yl)-(2-methylpyrazol-3-yl)methanone is CCc1ccc(C(=O)c2ccnn2C)o1.
What is the InChIKey of (5-ethylfuran-2-yl)-(2-methylpyrazol-3-yl)methanone?
The InChIKey is MTYWZNHJWTVWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-8-4-5-10(15-8)11(14)9-6-7-12-13(9)2/h4-7H,3H2,1-2H3.
What are the key properties of (5-ethylfuran-2-yl)-(2-methylpyrazol-3-yl)methanone?
(5-ethylfuran-2-yl)-(2-methylpyrazol-3-yl)methanone has a molecular weight of 204.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 114972553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).