3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide

C7H11BrN4O — CID 130586350

IUPAC3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
SMILESCn1ncc(Br)c1C(N)CC(N)=O
InChIInChI=1S/C7H11BrN4O/c1-12-7(4(8)3-11-12)5(9)2-6(10)13/h3,5H,2,9H2,1H3,(H2,10,13)
InChIKeyUPAHFAUFXKIMJD-UHFFFAOYSA-N
MW247.10 g/mol
LogP0.06
Rot. Bonds3

About 3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide

3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide (PubChem CID 130586350) has the molecular formula C7H11BrN4O and a molecular weight of 247.10 g/mol. Its IUPAC name is 3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
PubChem CID130586350
Molecular FormulaC7H11BrN4O
Molecular Weight247.10 g/mol
Exact Mass246.01
IUPAC Name3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
SMILESCn1ncc(Br)c1C(N)CC(N)=O
InChIInChI=1S/C7H11BrN4O/c1-12-7(4(8)3-11-12)5(9)2-6(10)13/h3,5H,2,9H2,1H3,(H2,10,13)
InChIKeyUPAHFAUFXKIMJD-UHFFFAOYSA-N
XLogP0.06
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586349
(3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide
CID 131209567
(3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide
CID 130936273
1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648705
1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114659465
(3S)-3-amino-3-(5-bromo-3-methyltriazol-4-yl)propanamide
CID 130586346
1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105054241
1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine
CID 105189862
1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-bromophenyl)sulfanylethanamine
CID 114656014
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216484
1-(4-bromo-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148168
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol
CID 114643180

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide?
The IUPAC name of 3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide (CID 130586350) is 3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide.
What is the SMILES notation for 3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide?
The canonical SMILES for 3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide is Cn1ncc(Br)c1C(N)CC(N)=O.
What is the InChIKey of 3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide?
The InChIKey is UPAHFAUFXKIMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4O/c1-12-7(4(8)3-11-12)5(9)2-6(10)13/h3,5H,2,9H2,1H3,(H2,10,13).
What are the key properties of 3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide?
3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide has a molecular weight of 247.10 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide is sourced from PubChem (CID 130586350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).