4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole;hydrobromide

C16H15BrN4S — CID 155540992

IUPAC4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole;hydrobromide
SMILESBr.c1ccc(-n2cc(C3=NCCN3)c(-c3cccs3)n2)cc1
InChIInChI=1S/C16H14N4S.BrH/c1-2-5-12(6-3-1)20-11-13(16-17-8-9-18-16)15(19-20)14-7-4-10-21-14;/h1-7,10-11H,8-9H2,(H,17,18);1H
InChIKeyQEFLTOBJRBGFLV-UHFFFAOYSA-N
MW375.30 g/mol
LogP3.53
Rot. Bonds3

About 4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole;hydrobromide

4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole;hydrobromide (PubChem CID 155540992) has the molecular formula C16H15BrN4S and a molecular weight of 375.30 g/mol. Its IUPAC name is 4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole;hydrobromide.

Molecular Properties

Compound Name4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole;hydrobromide
PubChem CID155540992
Molecular FormulaC16H15BrN4S
Molecular Weight375.30 g/mol
Exact Mass374.02
IUPAC Name4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole;hydrobromide
SMILESBr.c1ccc(-n2cc(C3=NCCN3)c(-c3cccs3)n2)cc1
InChIInChI=1S/C16H14N4S.BrH/c1-2-5-12(6-3-1)20-11-13(16-17-8-9-18-16)15(19-20)14-7-4-10-21-14;/h1-7,10-11H,8-9H2,(H,17,18);1H
InChIKeyQEFLTOBJRBGFLV-UHFFFAOYSA-N
XLogP3.53
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole;hydrobromide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole;hydrobromide?
The IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole;hydrobromide (CID 155540992) is 4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole;hydrobromide.
What is the SMILES notation for 4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole;hydrobromide?
The canonical SMILES for 4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole;hydrobromide is Br.c1ccc(-n2cc(C3=NCCN3)c(-c3cccs3)n2)cc1.
What is the InChIKey of 4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole;hydrobromide?
The InChIKey is QEFLTOBJRBGFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S.BrH/c1-2-5-12(6-3-1)20-11-13(16-17-8-9-18-16)15(19-20)14-7-4-10-21-14;/h1-7,10-11H,8-9H2,(H,17,18);1H.
What are the key properties of 4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole;hydrobromide?
4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole;hydrobromide has a molecular weight of 375.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole;hydrobromide is sourced from PubChem (CID 155540992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).