(4-bromo-3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone

C10H9BrN2OS — CID 831999

IUPAC(4-bromo-3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone
SMILESCc1nn(C(=O)c2cccs2)c(C)c1Br
InChIInChI=1S/C10H9BrN2OS/c1-6-9(11)7(2)13(12-6)10(14)8-4-3-5-15-8/h3-5H,1-2H3
InChIKeyKLSJHNHQOMSXSJ-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.01
Rot. Bonds1

About (4-bromo-3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone

(4-bromo-3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone (PubChem CID 831999) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone
PubChem CID831999
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name(4-bromo-3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone
SMILESCc1nn(C(=O)c2cccs2)c(C)c1Br
InChIInChI=1S/C10H9BrN2OS/c1-6-9(11)7(2)13(12-6)10(14)8-4-3-5-15-8/h3-5H,1-2H3
InChIKeyKLSJHNHQOMSXSJ-UHFFFAOYSA-N
XLogP3.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-bromo-3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'3-(2-thienylcarbonyl)-4-bromo-1,5-dimethyl-1H-pyrazole-3-carbohydrazide
CID 2743626
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)thiophene-2-carboxamide
CID 658972
(2E)-1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(thiophen-2-yl)prop-2-en-1-one
CID 5906691
1-[3,5-Dimethyl-1-(thiophene-2-carbonyl)pyrazol-4-yl]ethanone
CID 712603
1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(thiophen-2-yl)ethan-1-one
CID 802192
3,5-dimethyl-1-(2-thienylcarbonyl)-1H-pyrazole
CID 730456
4-((4-Bromophenyl)thio)-3,5-dimethyl-1-(2-thienylcarbonyl)-1H-pyrazole
CID 979815
N-[2-(1,5-dimethyl-1H-pyrazol-3-yl)ethyl]thiophene-2-carboxamide
CID 92109186
(3,5-Dimethylpyrazol-2-ium-1-yl)-thiophen-2-ylmethanone
CID 135080270
4-bromo-2-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4772140
4-Bromo-N'-((5-fluoro-1,3-dimethyl-1H-pyrazol-4-yl)methylene)thiophene-2-carbohydrazide
CID 119055897
4-bromo-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide
CID 124847929

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4-bromo-3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone (CID 831999) is (4-bromo-3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-bromo-3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-bromo-3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone is Cc1nn(C(=O)c2cccs2)c(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone?
The InChIKey is KLSJHNHQOMSXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c1-6-9(11)7(2)13(12-6)10(14)8-4-3-5-15-8/h3-5H,1-2H3.
What are the key properties of (4-bromo-3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone?
(4-bromo-3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone has a molecular weight of 285.17 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 831999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).