(5-bromothiophen-2-yl)-pyrazol-1-ylmethanone

C8H5BrN2OS — CID 17374707

IUPAC(5-bromothiophen-2-yl)-pyrazol-1-ylmethanone
SMILESO=C(c1ccc(Br)s1)n1cccn1
InChIInChI=1S/C8H5BrN2OS/c9-7-3-2-6(13-7)8(12)11-5-1-4-10-11/h1-5H
InChIKeyBJAOKVKACIVXRB-UHFFFAOYSA-N
MW257.11 g/mol
LogP2.40
Rot. Bonds1

About (5-bromothiophen-2-yl)-pyrazol-1-ylmethanone

(5-bromothiophen-2-yl)-pyrazol-1-ylmethanone (PubChem CID 17374707) has the molecular formula C8H5BrN2OS and a molecular weight of 257.11 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-pyrazol-1-ylmethanone
PubChem CID17374707
Molecular FormulaC8H5BrN2OS
Molecular Weight257.11 g/mol
Exact Mass255.93
IUPAC Name(5-bromothiophen-2-yl)-pyrazol-1-ylmethanone
SMILESO=C(c1ccc(Br)s1)n1cccn1
InChIInChI=1S/C8H5BrN2OS/c9-7-3-2-6(13-7)8(12)11-5-1-4-10-11/h1-5H
InChIKeyBJAOKVKACIVXRB-UHFFFAOYSA-N
XLogP2.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-pyrazol-1-ylmethanone?
The IUPAC name of (5-bromothiophen-2-yl)-pyrazol-1-ylmethanone (CID 17374707) is (5-bromothiophen-2-yl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-pyrazol-1-ylmethanone?
The canonical SMILES for (5-bromothiophen-2-yl)-pyrazol-1-ylmethanone is O=C(c1ccc(Br)s1)n1cccn1.
What is the InChIKey of (5-bromothiophen-2-yl)-pyrazol-1-ylmethanone?
The InChIKey is BJAOKVKACIVXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2OS/c9-7-3-2-6(13-7)8(12)11-5-1-4-10-11/h1-5H.
What are the key properties of (5-bromothiophen-2-yl)-pyrazol-1-ylmethanone?
(5-bromothiophen-2-yl)-pyrazol-1-ylmethanone has a molecular weight of 257.11 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 17374707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).