4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid

C11H12BrN5O3 — CID 19406207

IUPAC4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid
SMILESCC(C(=O)Nc1cnn(C)c1C(=O)O)n1cc(Br)cn1
InChIInChI=1S/C11H12BrN5O3/c1-6(17-5-7(12)3-14-17)10(18)15-8-4-13-16(2)9(8)11(19)20/h3-6H,1-2H3,(H,15,18)(H,19,20)
InChIKeyWKLKZGOGZGLFDL-UHFFFAOYSA-N
MW342.15 g/mol
LogP1.28
Rot. Bonds4

About 4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid

4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid (PubChem CID 19406207) has the molecular formula C11H12BrN5O3 and a molecular weight of 342.15 g/mol. Its IUPAC name is 4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid
PubChem CID19406207
Molecular FormulaC11H12BrN5O3
Molecular Weight342.15 g/mol
Exact Mass341.01
IUPAC Name4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid
SMILESCC(C(=O)Nc1cnn(C)c1C(=O)O)n1cc(Br)cn1
InChIInChI=1S/C11H12BrN5O3/c1-6(17-5-7(12)3-14-17)10(18)15-8-4-13-16(2)9(8)11(19)20/h3-6H,1-2H3,(H,15,18)(H,19,20)
InChIKeyWKLKZGOGZGLFDL-UHFFFAOYSA-N
XLogP1.28
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19537728
4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19406183
(2S)-2-(4-bromopyrazol-1-yl)propanehydrazide
CID 7026116
N-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide
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(2S)-2-(4-bromopyrazol-1-yl)-N-propan-2-ylpropanamide
CID 35522913
2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide
CID 45153789
2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide
CID 19537511
2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide
CID 61029814
2-(4-bromopyrazol-1-yl)-N-quinolin-8-ylpropanamide
CID 45153810
2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide
CID 154834581
2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide
CID 45153765
2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 45153796

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid (CID 19406207) is 4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid is CC(C(=O)Nc1cnn(C)c1C(=O)O)n1cc(Br)cn1.
What is the InChIKey of 4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is WKLKZGOGZGLFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O3/c1-6(17-5-7(12)3-14-17)10(18)15-8-4-13-16(2)9(8)11(19)20/h3-6H,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid?
4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 342.15 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 19406207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).