2-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-1-imidazol-1-ylbutan-2-yl]acetamide

C13H20N6O — CID 99984955

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-1-imidazol-1-ylbutan-2-yl]acetamide
SMILESCC[C@H](Cn1ccnc1)NC(=O)Cn1nc(C)cc1N
InChIInChI=1S/C13H20N6O/c1-3-11(7-18-5-4-15-9-18)16-13(20)8-19-12(14)6-10(2)17-19/h4-6,9,11H,3,7-8,14H2,1-2H3,(H,16,20)/t11-/m1/s1
InChIKeyXZPLGZLCJUVFCT-LLVKDONJSA-N
MW276.34 g/mol
LogP0.57
Rot. Bonds6

About 2-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-1-imidazol-1-ylbutan-2-yl]acetamide

2-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-1-imidazol-1-ylbutan-2-yl]acetamide (PubChem CID 99984955) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-1-imidazol-1-ylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-1-imidazol-1-ylbutan-2-yl]acetamide
PubChem CID99984955
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-1-imidazol-1-ylbutan-2-yl]acetamide
SMILESCC[C@H](Cn1ccnc1)NC(=O)Cn1nc(C)cc1N
InChIInChI=1S/C13H20N6O/c1-3-11(7-18-5-4-15-9-18)16-13(20)8-19-12(14)6-10(2)17-19/h4-6,9,11H,3,7-8,14H2,1-2H3,(H,16,20)/t11-/m1/s1
InChIKeyXZPLGZLCJUVFCT-LLVKDONJSA-N
XLogP0.57
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-1-imidazol-1-ylbutan-2-yl]acetamide with MolForge

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Related Compounds

2-bromo-N-(1-imidazol-1-ylbutan-2-yl)acetamide
CID 82110009
N-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 95556331
N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide
CID 131918177
2-(5-amino-3-methylpyrazol-1-yl)-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]acetamide
CID 99985610
1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea
CID 97284208
1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea
CID 118790076
N-[(1R)-1-(1-adamantyl)propyl]-2-(5-amino-3-methylpyrazol-1-yl)acetamide
CID 124751289
(2R)-2-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 126447208
N-[(2S)-1-imidazol-1-ylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide
CID 94610417
N-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide
CID 126446563
N-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide
CID 72895830
2-[(2-chlorophenyl)methylsulfanyl]-N-(1-imidazol-1-ylbutan-2-yl)acetamide
CID 46988632

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-1-imidazol-1-ylbutan-2-yl]acetamide?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-1-imidazol-1-ylbutan-2-yl]acetamide (CID 99984955) is 2-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-1-imidazol-1-ylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-1-imidazol-1-ylbutan-2-yl]acetamide?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-1-imidazol-1-ylbutan-2-yl]acetamide is CC[C@H](Cn1ccnc1)NC(=O)Cn1nc(C)cc1N.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-1-imidazol-1-ylbutan-2-yl]acetamide?
The InChIKey is XZPLGZLCJUVFCT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N6O/c1-3-11(7-18-5-4-15-9-18)16-13(20)8-19-12(14)6-10(2)17-19/h4-6,9,11H,3,7-8,14H2,1-2H3,(H,16,20)/t11-/m1/s1.
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-1-imidazol-1-ylbutan-2-yl]acetamide?
2-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-1-imidazol-1-ylbutan-2-yl]acetamide has a molecular weight of 276.34 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-1-imidazol-1-ylbutan-2-yl]acetamide is sourced from PubChem (CID 99984955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).