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

C11H11ClN2O2 — CID 106691010

IUPAC(2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)c1ccoc1Cl
InChIInChI=1S/C11H11ClN2O2/c1-2-6-14-9(3-5-13-14)10(15)8-4-7-16-11(8)12/h3-5,7H,2,6H2,1H3
InChIKeyBXYIGSBKCKUROY-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.77
Rot. Bonds4

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

(2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanone (PubChem CID 106691010) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanone
PubChem CID106691010
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name(2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)c1ccoc1Cl
InChIInChI=1S/C11H11ClN2O2/c1-2-6-14-9(3-5-13-14)10(15)8-4-7-16-11(8)12/h3-5,7H,2,6H2,1H3
InChIKeyBXYIGSBKCKUROY-UHFFFAOYSA-N
XLogP2.77
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.77
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-propylpyrazol-3-yl)methanone?
The IUPAC name of (2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanone (CID 106691010) is (2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)c1ccoc1Cl.
What is the InChIKey of (2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanone?
The InChIKey is BXYIGSBKCKUROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-2-6-14-9(3-5-13-14)10(15)8-4-7-16-11(8)12/h3-5,7H,2,6H2,1H3.
What are the key properties of (2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanone?
(2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanone has a molecular weight of 238.67 g/mol, XLogP of 2.77, 4 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-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 106691010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).