2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide

C9H9BrN4OS — CID 45153796

IUPAC2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nccs1)n1cc(Br)cn1
InChIInChI=1S/C9H9BrN4OS/c1-6(14-5-7(10)4-12-14)8(15)13-9-11-2-3-16-9/h2-6H,1H3,(H,11,13,15)
InChIKeyYWJAYXGDUREXHN-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.30
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide

2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 45153796) has the molecular formula C9H9BrN4OS and a molecular weight of 301.17 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID45153796
Molecular FormulaC9H9BrN4OS
Molecular Weight301.17 g/mol
Exact Mass299.97
IUPAC Name2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nccs1)n1cc(Br)cn1
InChIInChI=1S/C9H9BrN4OS/c1-6(14-5-7(10)4-12-14)8(15)13-9-11-2-3-16-9/h2-6H,1H3,(H,11,13,15)
InChIKeyYWJAYXGDUREXHN-UHFFFAOYSA-N
XLogP2.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-pyrazol-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 35503683
(2S)-2-(4-bromopyrazol-1-yl)propanehydrazide
CID 7026116
(2S)-2-(4-bromopyrazol-1-yl)-N-propan-2-ylpropanamide
CID 35522913
2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide
CID 61029814
(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 40932668
2-(4-bromopyrazol-1-yl)-N-quinolin-8-ylpropanamide
CID 45153810
2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4771380
2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide
CID 45153765
N-(1-adamantyl)-2-(4-bromopyrazol-1-yl)propanamide
CID 19537474
(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
CID 59361268
N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide
CID 61036183
4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid
CID 19406207

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 45153796) is 2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide is CC(C(=O)Nc1nccs1)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is YWJAYXGDUREXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4OS/c1-6(14-5-7(10)4-12-14)8(15)13-9-11-2-3-16-9/h2-6H,1H3,(H,11,13,15).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 301.17 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 45153796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).