[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[(2R)-2-methyloxolan-2-yl]methanone

C14H21N3O2 — CID 126433993

IUPAC[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[(2R)-2-methyloxolan-2-yl]methanone
SMILESCc1cc(C)n(C2CN(C(=O)[C@@]3(C)CCCO3)C2)n1
InChIInChI=1S/C14H21N3O2/c1-10-7-11(2)17(15-10)12-8-16(9-12)13(18)14(3)5-4-6-19-14/h7,12H,4-6,8-9H2,1-3H3/t14-/m1/s1
InChIKeyGTULSOXIYSOYAQ-CQSZACIVSA-N
MW263.34 g/mol
LogP1.45
Rot. Bonds2

About [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[(2R)-2-methyloxolan-2-yl]methanone

[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[(2R)-2-methyloxolan-2-yl]methanone (PubChem CID 126433993) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[(2R)-2-methyloxolan-2-yl]methanone.

Molecular Properties

Compound Name[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[(2R)-2-methyloxolan-2-yl]methanone
PubChem CID126433993
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[(2R)-2-methyloxolan-2-yl]methanone
SMILESCc1cc(C)n(C2CN(C(=O)[C@@]3(C)CCCO3)C2)n1
InChIInChI=1S/C14H21N3O2/c1-10-7-11(2)17(15-10)12-8-16(9-12)13(18)14(3)5-4-6-19-14/h7,12H,4-6,8-9H2,1-3H3/t14-/m1/s1
InChIKeyGTULSOXIYSOYAQ-CQSZACIVSA-N
XLogP1.45
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[(2R)-2-methyloxolan-2-yl]methanone with MolForge

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Related Compounds

N-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129326625
[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-pyridin-4-ylmethanone
CID 91788675
(3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide
CID 97122457
[(2S)-2-methyloxolan-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 124572044
1-[(2S)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95340542
1-[(2R)-2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95340544
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95354154
[(2S)-2-methyloxolan-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 92553488
(2-methyloxolan-2-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46954682
(3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid
CID 81120832
1-[(4S)-4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
CID 95290454
1-[(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone
CID 97202293

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[(2R)-2-methyloxolan-2-yl]methanone?
The IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[(2R)-2-methyloxolan-2-yl]methanone (CID 126433993) is [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[(2R)-2-methyloxolan-2-yl]methanone.
What is the SMILES notation for [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[(2R)-2-methyloxolan-2-yl]methanone?
The canonical SMILES for [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[(2R)-2-methyloxolan-2-yl]methanone is Cc1cc(C)n(C2CN(C(=O)[C@@]3(C)CCCO3)C2)n1.
What is the InChIKey of [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[(2R)-2-methyloxolan-2-yl]methanone?
The InChIKey is GTULSOXIYSOYAQ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-7-11(2)17(15-10)12-8-16(9-12)13(18)14(3)5-4-6-19-14/h7,12H,4-6,8-9H2,1-3H3/t14-/m1/s1.
What are the key properties of [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[(2R)-2-methyloxolan-2-yl]methanone?
[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[(2R)-2-methyloxolan-2-yl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[(2R)-2-methyloxolan-2-yl]methanone is sourced from PubChem (CID 126433993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).