(2-chlorofuran-3-yl)-(2-ethylpyrazol-3-yl)methanone

C10H9ClN2O2 — CID 106691012

IUPAC(2-chlorofuran-3-yl)-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)c1ccoc1Cl
InChIInChI=1S/C10H9ClN2O2/c1-2-13-8(3-5-12-13)9(14)7-4-6-15-10(7)11/h3-6H,2H2,1H3
InChIKeyIVNDZHMHZWKEMJ-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.38
Rot. Bonds3

About (2-chlorofuran-3-yl)-(2-ethylpyrazol-3-yl)methanone

(2-chlorofuran-3-yl)-(2-ethylpyrazol-3-yl)methanone (PubChem CID 106691012) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(2-ethylpyrazol-3-yl)methanone
PubChem CID106691012
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name(2-chlorofuran-3-yl)-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)c1ccoc1Cl
InChIInChI=1S/C10H9ClN2O2/c1-2-13-8(3-5-12-13)9(14)7-4-6-15-10(7)11/h3-6H,2H2,1H3
InChIKeyIVNDZHMHZWKEMJ-UHFFFAOYSA-N
XLogP2.38
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(2-ethylpyrazol-3-yl)methanone?
The IUPAC name of (2-chlorofuran-3-yl)-(2-ethylpyrazol-3-yl)methanone (CID 106691012) is (2-chlorofuran-3-yl)-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-(2-ethylpyrazol-3-yl)methanone is CCn1nccc1C(=O)c1ccoc1Cl.
What is the InChIKey of (2-chlorofuran-3-yl)-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is IVNDZHMHZWKEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-2-13-8(3-5-12-13)9(14)7-4-6-15-10(7)11/h3-6H,2H2,1H3.
What are the key properties of (2-chlorofuran-3-yl)-(2-ethylpyrazol-3-yl)methanone?
(2-chlorofuran-3-yl)-(2-ethylpyrazol-3-yl)methanone has a molecular weight of 224.65 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(2-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 106691012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).