3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide

C11H12BrN3OS — CID 112669931

IUPAC3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1sccc1Br
InChIInChI=1S/C11H12BrN3OS/c1-7-8(6-15(2)14-7)5-13-11(16)10-9(12)3-4-17-10/h3-4,6H,5H2,1-2H3,(H,13,16)
InChIKeyCZVLPPVMIZZDCN-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.48
Rot. Bonds3

About 3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide

3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 112669931) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID112669931
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1sccc1Br
InChIInChI=1S/C11H12BrN3OS/c1-7-8(6-15(2)14-7)5-13-11(16)10-9(12)3-4-17-10/h3-4,6H,5H2,1-2H3,(H,13,16)
InChIKeyCZVLPPVMIZZDCN-UHFFFAOYSA-N
XLogP2.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide 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

3-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 79036382
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 112669431
4-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 19475026
3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 115598761
2,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 104920731
2-amino-5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 112670930
4-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 112669921
5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 112668776
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 4862534
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 115989224

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide (CID 112669931) is 3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide is Cc1nn(C)cc1CNC(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is CZVLPPVMIZZDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-7-8(6-15(2)14-7)5-13-11(16)10-9(12)3-4-17-10/h3-4,6H,5H2,1-2H3,(H,13,16).
What are the key properties of 3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 314.21 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 112669931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).