2-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanamide

C11H17BrN4O — CID 63920704

IUPAC2-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanamide
SMILESCc1nn(CC(N)(C(N)=O)C2CC2)c(C)c1Br
InChIInChI=1S/C11H17BrN4O/c1-6-9(12)7(2)16(15-6)5-11(14,10(13)17)8-3-4-8/h8H,3-5,14H2,1-2H3,(H2,13,17)
InChIKeyMRWADZIZHLZRQO-UHFFFAOYSA-N
MW301.19 g/mol
LogP0.86
Rot. Bonds4

About 2-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanamide

2-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanamide (PubChem CID 63920704) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 2-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanamide.

Molecular Properties

Compound Name2-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanamide
PubChem CID63920704
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name2-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanamide
SMILESCc1nn(CC(N)(C(N)=O)C2CC2)c(C)c1Br
InChIInChI=1S/C11H17BrN4O/c1-6-9(12)7(2)16(15-6)5-11(14,10(13)17)8-3-4-8/h8H,3-5,14H2,1-2H3,(H2,13,17)
InChIKeyMRWADZIZHLZRQO-UHFFFAOYSA-N
XLogP0.86
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanamide
CID 63919904
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide
CID 63920900
2-amino-2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)propanamide
CID 63918935
2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanoic acid
CID 63919128
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)propanamide
CID 62130627
methyl 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanoate
CID 63919117
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propanamide
CID 63918932
ethyl 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpropanoate
CID 62130469
5-(4-bromo-3,5-dimethylpyrazol-1-yl)pentanoic acid
CID 62129898
2-amino-2-cyclopropyl-3-(2-ethylimidazol-1-yl)propanamide
CID 63920700
2-amino-2-cyclopropyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 63920649
3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoate
CID 4753296

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanamide?
The IUPAC name of 2-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanamide (CID 63920704) is 2-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanamide.
What is the SMILES notation for 2-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanamide?
The canonical SMILES for 2-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanamide is Cc1nn(CC(N)(C(N)=O)C2CC2)c(C)c1Br.
What is the InChIKey of 2-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanamide?
The InChIKey is MRWADZIZHLZRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-6-9(12)7(2)16(15-6)5-11(14,10(13)17)8-3-4-8/h8H,3-5,14H2,1-2H3,(H2,13,17).
What are the key properties of 2-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanamide?
2-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanamide has a molecular weight of 301.19 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropylpropanamide is sourced from PubChem (CID 63920704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).