2-(3-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanone

C15H11BrN2OS — CID 105092789

IUPAC2-(3-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanone
SMILESO=C(Cc1sccc1Br)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H11BrN2OS/c16-12-7-9-20-15(12)10-14(19)13-6-8-18(17-13)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyAKRBXCZLCSPURQ-UHFFFAOYSA-N
MW347.24 g/mol
LogP4.12
Rot. Bonds4

About 2-(3-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanone

2-(3-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanone (PubChem CID 105092789) has the molecular formula C15H11BrN2OS and a molecular weight of 347.24 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanone
PubChem CID105092789
Molecular FormulaC15H11BrN2OS
Molecular Weight347.24 g/mol
Exact Mass345.98
IUPAC Name2-(3-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanone
SMILESO=C(Cc1sccc1Br)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H11BrN2OS/c16-12-7-9-20-15(12)10-14(19)13-6-8-18(17-13)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyAKRBXCZLCSPURQ-UHFFFAOYSA-N
XLogP4.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanone
CID 65195473
2-(4-bromophenyl)-1-(1-phenylpyrazol-3-yl)ethanone
CID 105078940
1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanone
CID 105091060
2-(4-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanone
CID 105078013
1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 64829244
ethane;1-phenylpyrazole-3-carboxylic acid
CID 177006873
1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(3-bromothiophen-2-yl)ethanone
CID 116585266
(3-bromofuran-2-yl)-(1-phenylpyrazol-3-yl)methanone
CID 105101622
4-ethylsulfonyl-1-(1-phenylpyrazol-3-yl)butan-1-one
CID 105103910
3-methyl-1-(1-phenylpyrazol-3-yl)hexan-1-one
CID 105091340
1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one
CID 62828798
1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide
CID 46450468

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanone (CID 105092789) is 2-(3-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanone is O=C(Cc1sccc1Br)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanone?
The InChIKey is AKRBXCZLCSPURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2OS/c16-12-7-9-20-15(12)10-14(19)13-6-8-18(17-13)11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanone?
2-(3-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanone has a molecular weight of 347.24 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanone is sourced from PubChem (CID 105092789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).