4-bromo-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide

C8H7BrN4OS — CID 903362

IUPAC4-bromo-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)Nc2nccs2)n1
InChIInChI=1S/C8H7BrN4OS/c1-13-4-5(9)6(12-13)7(14)11-8-10-2-3-15-8/h2-4H,1H3,(H,10,11,14)
InChIKeyCYXOTJGNKAZAES-UHFFFAOYSA-N
MW287.14 g/mol
LogP1.89
Rot. Bonds2

About 4-bromo-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide

4-bromo-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 903362) has the molecular formula C8H7BrN4OS and a molecular weight of 287.14 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID903362
Molecular FormulaC8H7BrN4OS
Molecular Weight287.14 g/mol
Exact Mass285.95
IUPAC Name4-bromo-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)Nc2nccs2)n1
InChIInChI=1S/C8H7BrN4OS/c1-13-4-5(9)6(12-13)7(14)11-8-10-2-3-15-8/h2-4H,1H3,(H,10,11,14)
InChIKeyCYXOTJGNKAZAES-UHFFFAOYSA-N
XLogP1.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-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

4-chloro-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 893021
4-chloro-1-ethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 831979
1-ethyl-N-(5-methylthiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 6464339
4-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 6471003
4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1028404
4-nitro-1-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 1220107
4-bromo-1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 831994
1-ethyl-N-(thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 649902
4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 831420
4-bromo-2-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 891968
3-(Thiazol-2-ylcarbamoyl)-pyrazole-1-carboxylic acid sec-butyl ester
CID 646212
1-Methyl-4-nitro-N-(thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 1220591

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 903362) is 4-bromo-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is Cn1cc(Br)c(C(=O)Nc2nccs2)n1.
What is the InChIKey of 4-bromo-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is CYXOTJGNKAZAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4OS/c1-13-4-5(9)6(12-13)7(14)11-8-10-2-3-15-8/h2-4H,1H3,(H,10,11,14).
What are the key properties of 4-bromo-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
4-bromo-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 287.14 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 903362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).