[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C14H20F2N4O2 — CID 156610772

IUPAC[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCOCC1CC(F)(F)CN1C1CN(C(=O)c2cnn(C)c2)C1
InChIInChI=1S/C14H20F2N4O2/c1-18-5-10(4-17-18)13(21)19-6-12(7-19)20-9-14(15,16)3-11(20)8-22-2/h4-5,11-12H,3,6-9H2,1-2H3
InChIKeySDGYCYAYDTWVSY-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.60
Rot. Bonds4

About [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 156610772) has the molecular formula C14H20F2N4O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID156610772
Molecular FormulaC14H20F2N4O2
Molecular Weight314.34 g/mol
Exact Mass314.16
IUPAC Name[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCOCC1CC(F)(F)CN1C1CN(C(=O)c2cnn(C)c2)C1
InChIInChI=1S/C14H20F2N4O2/c1-18-5-10(4-17-18)13(21)19-6-12(7-19)20-9-14(15,16)3-11(20)8-22-2/h4-5,11-12H,3,6-9H2,1-2H3
InChIKeySDGYCYAYDTWVSY-UHFFFAOYSA-N
XLogP0.60
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[Ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110197183
4-[4,4-Difluoro-2-(methoxymethyl)pyrrolidin-1-YL]-1-(1-methyl-1H-pyrazole-4-carbonyl)piperidine
CID 124051021
1-[(3S,5R)-1-prop-2-enoyl-5-(trifluoromethoxymethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 175742688
[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 110108484
[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110108507
4-[4,4-Difluoro-2-(methoxymethyl)pyrrolidin-1-YL]-1-(1-ethyl-1H-pyrazole-4-carbonyl)piperidine
CID 124051028
[4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 124051136
[4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 124051147
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
CID 128987278
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 128988181
(1-tert-butylpyrazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 128988320
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone
CID 128988399

Frequently Asked Questions

What is the IUPAC name of [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 156610772) is [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone is COCC1CC(F)(F)CN1C1CN(C(=O)c2cnn(C)c2)C1.
What is the InChIKey of [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is SDGYCYAYDTWVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O2/c1-18-5-10(4-17-18)13(21)19-6-12(7-19)20-9-14(15,16)3-11(20)8-22-2/h4-5,11-12H,3,6-9H2,1-2H3.
What are the key properties of [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 314.34 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 156610772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).