1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone

C14H23N3O2 — CID 74243529

IUPAC1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
SMILESCOC[C@H]1CCCN1C(=O)Cn1nc(C)c(C)c1C
InChIInChI=1S/C14H23N3O2/c1-10-11(2)15-17(12(10)3)8-14(18)16-7-5-6-13(16)9-19-4/h13H,5-9H2,1-4H3/t13-/m1/s1
InChIKeyBTRDYXRUIBRLRQ-CYBMUJFWSA-N
MW265.36 g/mol
LogP1.45
Rot. Bonds4

About 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone

1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone (PubChem CID 74243529) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
PubChem CID74243529
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
SMILESCOC[C@H]1CCCN1C(=O)Cn1nc(C)c(C)c1C
InChIInChI=1S/C14H23N3O2/c1-10-11(2)15-17(12(10)3)8-14(18)16-7-5-6-13(16)9-19-4/h13H,5-9H2,1-4H3/t13-/m1/s1
InChIKeyBTRDYXRUIBRLRQ-CYBMUJFWSA-N
XLogP1.45
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-{3-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]-3-oxopropyl}-1,3,5-trimethyl-1H-pyrazole
CID 70712324
2-pyrrolidin-1-yl-N-[1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 90651232
1-{3-[3-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl}-3,4,5-trimethyl-1H-pyrazole
CID 91792141
(2S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide
CID 97899844
N~1~-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N~2~-(2-methoxyethyl)-N~2~-methylglycinamide
CID 118774020
(2S)-2-[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 124754599
1-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 128988538
methyl (2S,4R)-1-methyl-4-{[3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanoyl]amino}pyrrolidine-2-carboxylate
CID 50954421
methyl (2S,4R)-4-{[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]amino}-1-methylpyrrolidine-2-carboxylate
CID 50966323
8-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-1-oxa-8-azaspiro[4.5]decane
CID 56866736
7-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56900031
2-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyethyl)-2-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 91842274

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone (CID 74243529) is 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone is COC[C@H]1CCCN1C(=O)Cn1nc(C)c(C)c1C.
What is the InChIKey of 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone?
The InChIKey is BTRDYXRUIBRLRQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-11(2)15-17(12(10)3)8-14(18)16-7-5-6-13(16)9-19-4/h13H,5-9H2,1-4H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone?
1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone has a molecular weight of 265.36 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 74243529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).