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

C8H5BrN2OS — CID 2225157

IUPAC(4-bromothiophen-2-yl)-pyrazol-1-ylmethanone
SMILESO=C(c1cc(Br)cs1)n1cccn1
InChIInChI=1S/C8H5BrN2OS/c9-6-4-7(13-5-6)8(12)11-3-1-2-10-11/h1-5H
InChIKeyDCZHLTLFOCEOFA-UHFFFAOYSA-N
MW257.11 g/mol
LogP2.40
Rot. Bonds1

About (4-bromothiophen-2-yl)-pyrazol-1-ylmethanone

(4-bromothiophen-2-yl)-pyrazol-1-ylmethanone (PubChem CID 2225157) has the molecular formula C8H5BrN2OS and a molecular weight of 257.11 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-pyrazol-1-ylmethanone
PubChem CID2225157
Molecular FormulaC8H5BrN2OS
Molecular Weight257.11 g/mol
Exact Mass255.93
IUPAC Name(4-bromothiophen-2-yl)-pyrazol-1-ylmethanone
SMILESO=C(c1cc(Br)cs1)n1cccn1
InChIInChI=1S/C8H5BrN2OS/c9-6-4-7(13-5-6)8(12)11-3-1-2-10-11/h1-5H
InChIKeyDCZHLTLFOCEOFA-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 (4-bromothiophen-2-yl)-pyrazol-1-ylmethanone?
The IUPAC name of (4-bromothiophen-2-yl)-pyrazol-1-ylmethanone (CID 2225157) is (4-bromothiophen-2-yl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (4-bromothiophen-2-yl)-pyrazol-1-ylmethanone?
The canonical SMILES for (4-bromothiophen-2-yl)-pyrazol-1-ylmethanone is O=C(c1cc(Br)cs1)n1cccn1.
What is the InChIKey of (4-bromothiophen-2-yl)-pyrazol-1-ylmethanone?
The InChIKey is DCZHLTLFOCEOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2OS/c9-6-4-7(13-5-6)8(12)11-3-1-2-10-11/h1-5H.
What are the key properties of (4-bromothiophen-2-yl)-pyrazol-1-ylmethanone?
(4-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 (4-bromothiophen-2-yl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 2225157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).