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

C9H7ClN2O2 — CID 106691014

IUPAC(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)c1ccoc1Cl
InChIInChI=1S/C9H7ClN2O2/c1-12-7(2-4-11-12)8(13)6-3-5-14-9(6)10/h2-5H,1H3
InChIKeyCHIOGJISKBPWIC-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.90
Rot. Bonds2

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

(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methanone (PubChem CID 106691014) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methanone
PubChem CID106691014
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)c1ccoc1Cl
InChIInChI=1S/C9H7ClN2O2/c1-12-7(2-4-11-12)8(13)6-3-5-14-9(6)10/h2-5H,1H3
InChIKeyCHIOGJISKBPWIC-UHFFFAOYSA-N
XLogP1.90
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.90
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-methylpyrazol-3-yl)methanone?
The IUPAC name of (2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methanone (CID 106691014) is (2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)c1ccoc1Cl.
What is the InChIKey of (2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methanone?
The InChIKey is CHIOGJISKBPWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-12-7(2-4-11-12)8(13)6-3-5-14-9(6)10/h2-5H,1H3.
What are the key properties of (2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methanone?
(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methanone has a molecular weight of 210.62 g/mol, XLogP of 1.90, 2 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-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 106691014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).