2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide

C10H18N4O — CID 64801986

IUPAC2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide
SMILESCCC(C)n1ccc(CNCC(N)=O)n1
InChIInChI=1S/C10H18N4O/c1-3-8(2)14-5-4-9(13-14)6-12-7-10(11)15/h4-5,8,12H,3,6-7H2,1-2H3,(H2,11,15)
InChIKeyGXFWKRNPJGNLDE-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.43
Rot. Bonds6

About 2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide

2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide (PubChem CID 64801986) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide.

Molecular Properties

Compound Name2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide
PubChem CID64801986
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide
SMILESCCC(C)n1ccc(CNCC(N)=O)n1
InChIInChI=1S/C10H18N4O/c1-3-8(2)14-5-4-9(13-14)6-12-7-10(11)15/h4-5,8,12H,3,6-7H2,1-2H3,(H2,11,15)
InChIKeyGXFWKRNPJGNLDE-UHFFFAOYSA-N
XLogP0.43
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114616836
2-[2-[(1-butan-2-ylpyrazol-3-yl)methylamino]ethoxy]acetamide
CID 106237971
methyl 2-[(1-butan-2-ylpyrazol-3-yl)methylamino]propanoate
CID 64800871
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 66091379
2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide
CID 64991110
5-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pentanamide
CID 106236870
1-[(1-butan-2-ylpyrazol-3-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81167888
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 64799338
[1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol
CID 115454619
methyl 2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propanoate
CID 64801059
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 64800314

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide?
The IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide (CID 64801986) is 2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide.
What is the SMILES notation for 2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide?
The canonical SMILES for 2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide is CCC(C)n1ccc(CNCC(N)=O)n1.
What is the InChIKey of 2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide?
The InChIKey is GXFWKRNPJGNLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-8(2)14-5-4-9(13-14)6-12-7-10(11)15/h4-5,8,12H,3,6-7H2,1-2H3,(H2,11,15).
What are the key properties of 2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide?
2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide has a molecular weight of 210.28 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide is sourced from PubChem (CID 64801986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).