2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide

C12H20N4O2 — CID 91837080

IUPAC2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCOCC1CCN(CC(=O)Nc2ccn(C)n2)C1
InChIInChI=1S/C12H20N4O2/c1-15-5-4-11(14-15)13-12(17)8-16-6-3-10(7-16)9-18-2/h4-5,10H,3,6-9H2,1-2H3,(H,13,14,17)
InChIKeyYCLUIPHAWDEZHZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.33
Rot. Bonds5

About 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide

2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 91837080) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID91837080
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCOCC1CCN(CC(=O)Nc2ccn(C)n2)C1
InChIInChI=1S/C12H20N4O2/c1-15-5-4-11(14-15)13-12(17)8-16-6-3-10(7-16)9-18-2/h4-5,10H,3,6-9H2,1-2H3,(H,13,14,17)
InChIKeyYCLUIPHAWDEZHZ-UHFFFAOYSA-N
XLogP0.33
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 53557992
3-[(1-Methylpyrazol-3-yl)amino]-1-propan-2-ylpyrrolidin-2-one
CID 71981220
N-[2-(2-methylpropyl)pyrazol-3-yl]-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 72043920
N-[1-(pyrrolidin-3-yl)-1H-pyrazol-3-yl]acetamide dihydrochloride
CID 86767537
2,2-dimethyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]propanamide
CID 30541643
N-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylacetamide
CID 33177226
N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-[methyl(propan-2-yl)amino]acetamide
CID 53560007
3-[[1-(2-Methoxyethyl)pyrazol-3-yl]amino]-1-methylpyrrolidin-2-one
CID 71930924
3-[3-[[2-(Diethylamino)acetyl]amino]pyrazol-1-yl]propanamide
CID 72010495
2-(2,5-dimethylpyrrolidin-1-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide
CID 75503966
2-[3-[(4-Methyloxan-4-yl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 86790184
N~2~-methyl-N~2~-[(3-methyloxetan-3-yl)methyl]-N~1~-(1-methyl-1H-pyrazol-3-yl)glycinamide
CID 91829413

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide (CID 91837080) is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide is COCC1CCN(CC(=O)Nc2ccn(C)n2)C1.
What is the InChIKey of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is YCLUIPHAWDEZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-15-5-4-11(14-15)13-12(17)8-16-6-3-10(7-16)9-18-2/h4-5,10H,3,6-9H2,1-2H3,(H,13,14,17).
What are the key properties of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 91837080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).