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

C10H10BrN5O3 — CID 19406183

IUPAC4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(NC(=O)Cn2cc(Br)cn2)c1C(=O)O
InChIInChI=1S/C10H10BrN5O3/c1-15-9(10(18)19)7(3-12-15)14-8(17)5-16-4-6(11)2-13-16/h2-4H,5H2,1H3,(H,14,17)(H,18,19)
InChIKeyVBNVUXXYMVJNCA-UHFFFAOYSA-N
MW328.13 g/mol
LogP0.72
Rot. Bonds4

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

4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylic acid (PubChem CID 19406183) has the molecular formula C10H10BrN5O3 and a molecular weight of 328.13 g/mol. Its IUPAC name is 4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylic acid
PubChem CID19406183
Molecular FormulaC10H10BrN5O3
Molecular Weight328.13 g/mol
Exact Mass327.00
IUPAC Name4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(NC(=O)Cn2cc(Br)cn2)c1C(=O)O
InChIInChI=1S/C10H10BrN5O3/c1-15-9(10(18)19)7(3-12-15)14-8(17)5-16-4-6(11)2-13-16/h2-4H,5H2,1H3,(H,14,17)(H,18,19)
InChIKeyVBNVUXXYMVJNCA-UHFFFAOYSA-N
XLogP0.72
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.13
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylic acid 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-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398223
4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid
CID 19406207
1-[2-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502712
methyl 4-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342118
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide
CID 19337042
2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 19524588
4-[[2-(1-adamantyl)acetyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19405980
2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide
CID 19297618
1-methyl-4-(methylcarbamothioylamino)pyrazole-5-carboxylic acid
CID 19343582
3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19561636
2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide
CID 60865505
4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19525062

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylic acid (CID 19406183) is 4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylic acid is Cn1ncc(NC(=O)Cn2cc(Br)cn2)c1C(=O)O.
What is the InChIKey of 4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is VBNVUXXYMVJNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O3/c1-15-9(10(18)19)7(3-12-15)14-8(17)5-16-4-6(11)2-13-16/h2-4H,5H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylic acid?
4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 328.13 g/mol, XLogP of 0.72, 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)acetyl]amino]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 19406183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).