3-(1,5-dimethylpyrazol-4-yl)-1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]propan-1-one

C15H25N3O2 — CID 138036923

IUPAC3-(1,5-dimethylpyrazol-4-yl)-1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]propan-1-one
SMILESCOCC1(C)CCN(C(=O)CCc2cnn(C)c2C)C1
InChIInChI=1S/C15H25N3O2/c1-12-13(9-16-17(12)3)5-6-14(19)18-8-7-15(2,10-18)11-20-4/h9H,5-8,10-11H2,1-4H3
InChIKeyQLMDCAKCOZWEJA-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.55
Rot. Bonds5

About 3-(1,5-dimethylpyrazol-4-yl)-1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]propan-1-one

3-(1,5-dimethylpyrazol-4-yl)-1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]propan-1-one (PubChem CID 138036923) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]propan-1-one
PubChem CID138036923
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]propan-1-one
SMILESCOCC1(C)CCN(C(=O)CCc2cnn(C)c2C)C1
InChIInChI=1S/C15H25N3O2/c1-12-13(9-16-17(12)3)5-6-14(19)18-8-7-15(2,10-18)11-20-4/h9H,5-8,10-11H2,1-4H3
InChIKeyQLMDCAKCOZWEJA-UHFFFAOYSA-N
XLogP1.55
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(1,5-dimethylpyrazol-4-yl)-1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]propan-1-one 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-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one
CID 138036924
1-[(3aR,6aS)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-(1,5-dimethylpyrazol-4-yl)propan-1-one
CID 110126599
1-(4-benzoylpiperazin-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one
CID 138994571
1-[3-(2,2-difluoroethyl)azetidin-1-yl]-3-(1,5-dimethylpyrazol-4-yl)propan-1-one
CID 138000791
2-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 154844250
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 120809227
3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 124983434
1'-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-5-methylspiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,3'-piperidine]-6-one
CID 110062821
1-[(3aR,7aS)-1-(4-fluorophenyl)-2,2-dimethyl-3,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridin-5-yl]-3-(1,5-dimethylpyrazol-4-yl)propan-1-one
CID 155999395
N-benzyl-2-[(3S)-3-[(3-chlorophenoxy)methyl]-1-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]piperidin-3-yl]-N-methylacetamide
CID 124989594
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 120807583
3-(1,5-dimethylpyrazol-4-yl)-1-[(6S)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]propan-1-one
CID 124950564

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]propan-1-one (CID 138036923) is 3-(1,5-dimethylpyrazol-4-yl)-1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]propan-1-one is COCC1(C)CCN(C(=O)CCc2cnn(C)c2C)C1.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]propan-1-one?
The InChIKey is QLMDCAKCOZWEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12-13(9-16-17(12)3)5-6-14(19)18-8-7-15(2,10-18)11-20-4/h9H,5-8,10-11H2,1-4H3.
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]propan-1-one?
3-(1,5-dimethylpyrazol-4-yl)-1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]propan-1-one has a molecular weight of 279.38 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 138036923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).