1-(3-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one

C11H11BrN2OS — CID 103024409

IUPAC1-(3-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)c1sccc1Br
InChIInChI=1S/C11H11BrN2OS/c1-14-8(4-6-13-14)2-3-10(15)11-9(12)5-7-16-11/h4-7H,2-3H2,1H3
InChIKeyMMVUZLNOMWLGDS-UHFFFAOYSA-N
MW299.19 g/mol
LogP3.06
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one

1-(3-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one (PubChem CID 103024409) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
PubChem CID103024409
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name1-(3-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)c1sccc1Br
InChIInChI=1S/C11H11BrN2OS/c1-14-8(4-6-13-14)2-3-10(15)11-9(12)5-7-16-11/h4-7H,2-3H2,1H3
InChIKeyMMVUZLNOMWLGDS-UHFFFAOYSA-N
XLogP3.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007478
1-(5-iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024317
1-(3-amino-5-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103023983
1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007529
1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007384
1-(2,5-dichlorothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 107967875
5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103023752
1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007545
3-(2-methylpyrazol-3-yl)-1-pyridin-3-ylpropan-1-one
CID 103007247
1-(3-bromothiophen-2-yl)-5-methylhexan-1-one
CID 115795448
1-bromo-7-(2-methylpyrazol-3-yl)heptan-4-one
CID 106798885
4-ethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024188

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one (CID 103024409) is 1-(3-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one is Cn1nccc1CCC(=O)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one?
The InChIKey is MMVUZLNOMWLGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c1-14-8(4-6-13-14)2-3-10(15)11-9(12)5-7-16-11/h4-7H,2-3H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one?
1-(3-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one has a molecular weight of 299.19 g/mol, XLogP of 3.06, 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)-3-(2-methylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 103024409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).