[5-(3-chlorophenyl)furan-2-yl]-pyrazol-1-ylmethanone

C14H9ClN2O2 — CID 56834426

IUPAC[5-(3-chlorophenyl)furan-2-yl]-pyrazol-1-ylmethanone
SMILESO=C(c1ccc(-c2cccc(Cl)c2)o1)n1cccn1
InChIInChI=1S/C14H9ClN2O2/c15-11-4-1-3-10(9-11)12-5-6-13(19-12)14(18)17-8-2-7-16-17/h1-9H
InChIKeyVBCKIIACYUVGHX-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.48
Rot. Bonds2

About [5-(3-chlorophenyl)furan-2-yl]-pyrazol-1-ylmethanone

[5-(3-chlorophenyl)furan-2-yl]-pyrazol-1-ylmethanone (PubChem CID 56834426) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is [5-(3-chlorophenyl)furan-2-yl]-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name[5-(3-chlorophenyl)furan-2-yl]-pyrazol-1-ylmethanone
PubChem CID56834426
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name[5-(3-chlorophenyl)furan-2-yl]-pyrazol-1-ylmethanone
SMILESO=C(c1ccc(-c2cccc(Cl)c2)o1)n1cccn1
InChIInChI=1S/C14H9ClN2O2/c15-11-4-1-3-10(9-11)12-5-6-13(19-12)14(18)17-8-2-7-16-17/h1-9H
InChIKeyVBCKIIACYUVGHX-UHFFFAOYSA-N
XLogP3.48
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)furan-2-yl]-pyrazol-1-ylmethanone?
The IUPAC name of [5-(3-chlorophenyl)furan-2-yl]-pyrazol-1-ylmethanone (CID 56834426) is [5-(3-chlorophenyl)furan-2-yl]-pyrazol-1-ylmethanone.
What is the SMILES notation for [5-(3-chlorophenyl)furan-2-yl]-pyrazol-1-ylmethanone?
The canonical SMILES for [5-(3-chlorophenyl)furan-2-yl]-pyrazol-1-ylmethanone is O=C(c1ccc(-c2cccc(Cl)c2)o1)n1cccn1.
What is the InChIKey of [5-(3-chlorophenyl)furan-2-yl]-pyrazol-1-ylmethanone?
The InChIKey is VBCKIIACYUVGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-11-4-1-3-10(9-11)12-5-6-13(19-12)14(18)17-8-2-7-16-17/h1-9H.
What are the key properties of [5-(3-chlorophenyl)furan-2-yl]-pyrazol-1-ylmethanone?
[5-(3-chlorophenyl)furan-2-yl]-pyrazol-1-ylmethanone has a molecular weight of 272.69 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)furan-2-yl]-pyrazol-1-ylmethanone is sourced from PubChem (CID 56834426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).