(4-bromothiophen-2-yl)-(1H-pyrazol-4-yl)methanone

C8H5BrN2OS — CID 15163309

IUPAC(4-bromothiophen-2-yl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)c1cc(Br)cs1
InChIInChI=1S/C8H5BrN2OS/c9-6-1-7(13-4-6)8(12)5-2-10-11-3-5/h1-4H,(H,10,11)
InChIKeyYKYBYPIKSZPVIN-UHFFFAOYSA-N
MW257.11 g/mol
LogP2.46
Rot. Bonds2

About (4-bromothiophen-2-yl)-(1H-pyrazol-4-yl)methanone

(4-bromothiophen-2-yl)-(1H-pyrazol-4-yl)methanone (PubChem CID 15163309) has the molecular formula C8H5BrN2OS and a molecular weight of 257.11 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-(1H-pyrazol-4-yl)methanone
PubChem CID15163309
Molecular FormulaC8H5BrN2OS
Molecular Weight257.11 g/mol
Exact Mass255.93
IUPAC Name(4-bromothiophen-2-yl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)c1cc(Br)cs1
InChIInChI=1S/C8H5BrN2OS/c9-6-1-7(13-4-6)8(12)5-2-10-11-3-5/h1-4H,(H,10,11)
InChIKeyYKYBYPIKSZPVIN-UHFFFAOYSA-N
XLogP2.46
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (4-bromothiophen-2-yl)-(1H-pyrazol-4-yl)methanone (CID 15163309) is (4-bromothiophen-2-yl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (4-bromothiophen-2-yl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (4-bromothiophen-2-yl)-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)c1cc(Br)cs1.
What is the InChIKey of (4-bromothiophen-2-yl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is YKYBYPIKSZPVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2OS/c9-6-1-7(13-4-6)8(12)5-2-10-11-3-5/h1-4H,(H,10,11).
What are the key properties of (4-bromothiophen-2-yl)-(1H-pyrazol-4-yl)methanone?
(4-bromothiophen-2-yl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 257.11 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 15163309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).