N-(5-bromo-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide

C9H9BrN4OS — CID 35324536

IUPACN-(5-bromo-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(Br)s2)nn1C
InChIInChI=1S/C9H9BrN4OS/c1-5-3-6(13-14(5)2)8(15)12-9-11-4-7(10)16-9/h3-4H,1-2H3,(H,11,12,15)
InChIKeyQJTMFSLCCBPRBF-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.20
Rot. Bonds2

About N-(5-bromo-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide

N-(5-bromo-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 35324536) has the molecular formula C9H9BrN4OS and a molecular weight of 301.17 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID35324536
Molecular FormulaC9H9BrN4OS
Molecular Weight301.17 g/mol
Exact Mass299.97
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(Br)s2)nn1C
InChIInChI=1S/C9H9BrN4OS/c1-5-3-6(13-14(5)2)8(15)12-9-11-4-7(10)16-9/h3-4H,1-2H3,(H,11,12,15)
InChIKeyQJTMFSLCCBPRBF-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

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide (CID 35324536) is N-(5-bromo-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ncc(Br)s2)nn1C.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is QJTMFSLCCBPRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4OS/c1-5-3-6(13-14(5)2)8(15)12-9-11-4-7(10)16-9/h3-4H,1-2H3,(H,11,12,15).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-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 N-(5-bromo-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 35324536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).