[3-(methoxymethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

C13H21N3O2 — CID 90648316

IUPAC[3-(methoxymethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCOCC1CCN(C(=O)c2c(C)nn(C)c2C)C1
InChIInChI=1S/C13H21N3O2/c1-9-12(10(2)15(3)14-9)13(17)16-6-5-11(7-16)8-18-4/h11H,5-8H2,1-4H3
InChIKeyRIDYKQYYVPUDRT-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.15
Rot. Bonds3

About [3-(methoxymethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

[3-(methoxymethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 90648316) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [3-(methoxymethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID90648316
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[3-(methoxymethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCOCC1CCN(C(=O)c2c(C)nn(C)c2C)C1
InChIInChI=1S/C13H21N3O2/c1-9-12(10(2)15(3)14-9)13(17)16-6-5-11(7-16)8-18-4/h11H,5-8H2,1-4H3
InChIKeyRIDYKQYYVPUDRT-UHFFFAOYSA-N
XLogP1.15
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(methoxymethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CID 3157461
3,5-Dimethyl-1-propyl-1H-pyrazole-4-carbaldehyde
CID 6486756
methyl 3-(4-formyl-3,5-dimethyl-1H-pyrazol-1-yl)propanoate
CID 30491482
{(3R*,4R*)-4-[(dimethylamino)methyl]-1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)carbonyl]pyrrolidin-3-yl}methanol
CID 70738191
((3R*,4R*)-1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)carbonyl]-4-{[(2-methoxyethyl)(methyl)amino]methyl}pyrrolidin-3-yl)methanol
CID 70758027
1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CID 43647243
1-[1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl]ethan-1-one
CID 62727070
Pyrrolidin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 23094799
(4-Propylpiperazin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 40140215
Methyl 3-(1,3,5-trimethyl-1h-pyrazole-4-carboxamido)propanoate
CID 40211980
methyl 1-(1-cyclopentyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl)piperidine-4-carboxylate
CID 49675676
N-(3-ethoxypropyl)-5-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 49675772

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of [3-(methoxymethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 90648316) is [3-(methoxymethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-(methoxymethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for [3-(methoxymethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is COCC1CCN(C(=O)c2c(C)nn(C)c2C)C1.
What is the InChIKey of [3-(methoxymethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is RIDYKQYYVPUDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-12(10(2)15(3)14-9)13(17)16-6-5-11(7-16)8-18-4/h11H,5-8H2,1-4H3.
What are the key properties of [3-(methoxymethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
[3-(methoxymethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 251.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 90648316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).