2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide

C12H20N4O2 — CID 114096057

IUPAC2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC1OCCC1(C)NC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C12H20N4O2/c1-8-12(2,4-5-18-8)15-11(17)10(13)9-6-14-16(3)7-9/h6-8,10H,4-5,13H2,1-3H3,(H,15,17)
InChIKeyLMJAYKMSCOGHBR-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.10
Rot. Bonds3

About 2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 114096057) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID114096057
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC1OCCC1(C)NC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C12H20N4O2/c1-8-12(2,4-5-18-8)15-11(17)10(13)9-6-14-16(3)7-9/h6-8,10H,4-5,13H2,1-3H3,(H,15,17)
InChIKeyLMJAYKMSCOGHBR-UHFFFAOYSA-N
XLogP0.10
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290613
2-amino-2-(1-methylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 115290409
2-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289879
2-amino-2-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 113279805
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291026
2-amino-2-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 115289678
2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
CID 115290299
N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide
CID 113279811
2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289709
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115360077
2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290433
2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 106187975

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide (CID 114096057) is 2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide is CC1OCCC1(C)NC(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is LMJAYKMSCOGHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-12(2,4-5-18-8)15-11(17)10(13)9-6-14-16(3)7-9/h6-8,10H,4-5,13H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 114096057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).