2-amino-2-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide

C12H20N4O2 — CID 113279805

IUPAC2-amino-2-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)C(N)c1cnn(C)c1)C1CCCO1
InChIInChI=1S/C12H20N4O2/c1-8(10-4-3-5-18-10)15-12(17)11(13)9-6-14-16(2)7-9/h6-8,10-11H,3-5,13H2,1-2H3,(H,15,17)
InChIKeyQHOPAEKLPQTBCE-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.10
Rot. Bonds4

About 2-amino-2-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide

2-amino-2-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide (PubChem CID 113279805) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-amino-2-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide
PubChem CID113279805
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-amino-2-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)C(N)c1cnn(C)c1)C1CCCO1
InChIInChI=1S/C12H20N4O2/c1-8(10-4-3-5-18-10)15-12(17)11(13)9-6-14-16(2)7-9/h6-8,10-11H,3-5,13H2,1-2H3,(H,15,17)
InChIKeyQHOPAEKLPQTBCE-UHFFFAOYSA-N
XLogP0.10
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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-(oxolan-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119292175
2-(4-aminopyrazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533738
2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 114096057
2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291021
2-amino-N-[1-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115289779
1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide
CID 51390176
2-amino-N-[1-(diethylamino)propan-2-yl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290558
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290395
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291026
2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 106388433
2-amino-1-cyclobutyl-2-(1-methylpyrazol-4-yl)ethanone
CID 116605038
2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290613

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide (CID 113279805) is 2-amino-2-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-amino-2-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-amino-2-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide is CC(NC(=O)C(N)c1cnn(C)c1)C1CCCO1.
What is the InChIKey of 2-amino-2-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The InChIKey is QHOPAEKLPQTBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(10-4-3-5-18-10)15-12(17)11(13)9-6-14-16(2)7-9/h6-8,10-11H,3-5,13H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-2-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
2-amino-2-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide is sourced from PubChem (CID 113279805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).