4-bromo-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrazole

C12H16BrN5O2S — CID 126901276

IUPAC4-bromo-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrazole
SMILESCC(C)n1cnc(S(=O)(=O)N2CC(n3cc(Br)cn3)C2)c1
InChIInChI=1S/C12H16BrN5O2S/c1-9(2)16-7-12(14-8-16)21(19,20)17-5-11(6-17)18-4-10(13)3-15-18/h3-4,7-9,11H,5-6H2,1-2H3
InChIKeyOMVNNRXARKTSFM-UHFFFAOYSA-N
MW374.26 g/mol
LogP1.67
Rot. Bonds4

About 4-bromo-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrazole

4-bromo-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrazole (PubChem CID 126901276) has the molecular formula C12H16BrN5O2S and a molecular weight of 374.26 g/mol. Its IUPAC name is 4-bromo-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrazole.

Molecular Properties

Compound Name4-bromo-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrazole
PubChem CID126901276
Molecular FormulaC12H16BrN5O2S
Molecular Weight374.26 g/mol
Exact Mass373.02
IUPAC Name4-bromo-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrazole
SMILESCC(C)n1cnc(S(=O)(=O)N2CC(n3cc(Br)cn3)C2)c1
InChIInChI=1S/C12H16BrN5O2S/c1-9(2)16-7-12(14-8-16)21(19,20)17-5-11(6-17)18-4-10(13)3-15-18/h3-4,7-9,11H,5-6H2,1-2H3
InChIKeyOMVNNRXARKTSFM-UHFFFAOYSA-N
XLogP1.67
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-bromo-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrazole 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

4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]sulfonyl-1-methyl-2-propan-2-ylimidazole
CID 126901280
2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole
CID 121178903
(3aR,7aS)-2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99990220
3-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159679
1-(4-fluorophenyl)-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]piperazine
CID 126892901
2-methyl-4-[5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 155976957
2-(6-methylpyrimidin-4-yl)-5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126858194
1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol
CID 109379638
4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione
CID 119105849
(4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone
CID 53007812
1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(1,1,1-trifluoropropan-2-yl)piperazine
CID 126771185
3-methoxy-8-(1-propan-2-ylimidazol-4-yl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 122255648

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrazole?
The IUPAC name of 4-bromo-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrazole (CID 126901276) is 4-bromo-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrazole.
What is the SMILES notation for 4-bromo-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrazole?
The canonical SMILES for 4-bromo-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrazole is CC(C)n1cnc(S(=O)(=O)N2CC(n3cc(Br)cn3)C2)c1.
What is the InChIKey of 4-bromo-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrazole?
The InChIKey is OMVNNRXARKTSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O2S/c1-9(2)16-7-12(14-8-16)21(19,20)17-5-11(6-17)18-4-10(13)3-15-18/h3-4,7-9,11H,5-6H2,1-2H3.
What are the key properties of 4-bromo-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrazole?
4-bromo-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrazole has a molecular weight of 374.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrazole is sourced from PubChem (CID 126901276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).