4-bromo-1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide

C9H9BrN4OS — CID 39735327

IUPAC4-bromo-1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)Nc2nccs2)nn1C
InChIInChI=1S/C9H9BrN4OS/c1-5-6(10)7(13-14(5)2)8(15)12-9-11-3-4-16-9/h3-4H,1-2H3,(H,11,12,15)
InChIKeyROQGOPOHDKAQEA-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.20
Rot. Bonds2

About 4-bromo-1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide

4-bromo-1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 39735327) has the molecular formula C9H9BrN4OS and a molecular weight of 301.17 g/mol. Its IUPAC name is 4-bromo-1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID39735327
Molecular FormulaC9H9BrN4OS
Molecular Weight301.17 g/mol
Exact Mass299.97
IUPAC Name4-bromo-1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)Nc2nccs2)nn1C
InChIInChI=1S/C9H9BrN4OS/c1-5-6(10)7(13-14(5)2)8(15)12-9-11-3-4-16-9/h3-4H,1-2H3,(H,11,12,15)
InChIKeyROQGOPOHDKAQEA-UHFFFAOYSA-N
XLogP2.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-1,5-dimethyl-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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 39735327) is 4-bromo-1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is Cc1c(Br)c(C(=O)Nc2nccs2)nn1C.
What is the InChIKey of 4-bromo-1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is ROQGOPOHDKAQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4OS/c1-5-6(10)7(13-14(5)2)8(15)12-9-11-3-4-16-9/h3-4H,1-2H3,(H,11,12,15).
What are the key properties of 4-bromo-1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
4-bromo-1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 301.17 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 39735327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).