(3-amino-3-methylazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone

C12H20N4O — CID 66121428

IUPAC(3-amino-3-methylazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CC(C)(N)C2)n(CC)n1
InChIInChI=1S/C12H20N4O/c1-4-9-6-10(16(5-2)14-9)11(17)15-7-12(3,13)8-15/h6H,4-5,7-8,13H2,1-3H3
InChIKeyOMVYGCFEFHSGEA-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.64
Rot. Bonds3

About (3-amino-3-methylazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone

(3-amino-3-methylazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone (PubChem CID 66121428) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (3-amino-3-methylazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-amino-3-methylazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
PubChem CID66121428
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(3-amino-3-methylazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CC(C)(N)C2)n(CC)n1
InChIInChI=1S/C12H20N4O/c1-4-9-6-10(16(5-2)14-9)11(17)15-7-12(3,13)8-15/h6H,4-5,7-8,13H2,1-3H3
InChIKeyOMVYGCFEFHSGEA-UHFFFAOYSA-N
XLogP0.64
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66122570
azepan-1-yl-(1,3-diethylpyrazol-5-yl)methanone
CID 66120416
(1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671135
1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one
CID 66121196
(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121216
[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 114802193
(1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428724
(3-amino-3-cyclopropylazetidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 66119791
(1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 66122379
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 107159927
(4-amino-2,3-dihydroindol-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121179
[2-(3-aminopropyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 66121036

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-methylazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone?
The IUPAC name of (3-amino-3-methylazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone (CID 66121428) is (3-amino-3-methylazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone.
What is the SMILES notation for (3-amino-3-methylazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone?
The canonical SMILES for (3-amino-3-methylazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone is CCc1cc(C(=O)N2CC(C)(N)C2)n(CC)n1.
What is the InChIKey of (3-amino-3-methylazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone?
The InChIKey is OMVYGCFEFHSGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-9-6-10(16(5-2)14-9)11(17)15-7-12(3,13)8-15/h6H,4-5,7-8,13H2,1-3H3.
What are the key properties of (3-amino-3-methylazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone?
(3-amino-3-methylazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-methylazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone is sourced from PubChem (CID 66121428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).