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

C15H17BrN2OS — CID 114975038

IUPAC1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanone
SMILESO=C(Cc1ccn(C2CCCCC2)n1)c1sccc1Br
InChIInChI=1S/C15H17BrN2OS/c16-13-7-9-20-15(13)14(19)10-11-6-8-18(17-11)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2
InChIKeyCMYJAFAAHPRYEQ-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.64
Rot. Bonds4

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

1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanone (PubChem CID 114975038) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanone
PubChem CID114975038
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanone
SMILESO=C(Cc1ccn(C2CCCCC2)n1)c1sccc1Br
InChIInChI=1S/C15H17BrN2OS/c16-13-7-9-20-15(13)14(19)10-11-6-8-18(17-11)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2
InChIKeyCMYJAFAAHPRYEQ-UHFFFAOYSA-N
XLogP4.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-cyclohexylpyrazol-3-yl)ethanone
CID 116585300
2-(1-cyclopentylpyrazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
CID 105107368
2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105104785
1-(4-bromo-3-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 114977474
1-(2-bromo-4-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 107996435
1-(2-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 114977452
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 104987894
2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone
CID 114975042
1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one
CID 116559419
1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 64784504
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanone (CID 114975038) is 1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanone is O=C(Cc1ccn(C2CCCCC2)n1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanone?
The InChIKey is CMYJAFAAHPRYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c16-13-7-9-20-15(13)14(19)10-11-6-8-18(17-11)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanone?
1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanone has a molecular weight of 353.29 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanone is sourced from PubChem (CID 114975038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).