3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide

C15H12BrN3OS — CID 8911637

IUPAC3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1Cc1cccs1)c1cccc(Br)c1
InChIInChI=1S/C15H12BrN3OS/c16-12-4-1-3-11(9-12)15(20)18-14-6-7-17-19(14)10-13-5-2-8-21-13/h1-9H,10H2,(H,18,20)
InChIKeyKEAVUOUVXPJXGN-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.01
Rot. Bonds4

About 3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide

3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide (PubChem CID 8911637) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is 3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
PubChem CID8911637
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC Name3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1Cc1cccs1)c1cccc(Br)c1
InChIInChI=1S/C15H12BrN3OS/c16-12-4-1-3-11(9-12)15(20)18-14-6-7-17-19(14)10-13-5-2-8-21-13/h1-9H,10H2,(H,18,20)
InChIKeyKEAVUOUVXPJXGN-UHFFFAOYSA-N
XLogP4.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide 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-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911642
4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911601
7-bromo-4-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]chromene-2-carboxamide
CID 39834838
4-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911576
4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 39834768
4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 2485473
2-amino-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 121209392
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide
CID 7504732
2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 35673635
N-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide
CID 55674829
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55776817
3-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]naphthalene-2-carboxamide
CID 17401208

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
The IUPAC name of 3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide (CID 8911637) is 3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide is O=C(Nc1ccnn1Cc1cccs1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
The InChIKey is KEAVUOUVXPJXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c16-12-4-1-3-11(9-12)15(20)18-14-6-7-17-19(14)10-13-5-2-8-21-13/h1-9H,10H2,(H,18,20).
What are the key properties of 3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide has a molecular weight of 362.25 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 8911637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).