(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone

C14H21N3O2 — CID 66122570

IUPAC(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CC(O)(C3CC3)C2)n(CC)n1
InChIInChI=1S/C14H21N3O2/c1-3-11-7-12(17(4-2)15-11)13(18)16-8-14(19,9-16)10-5-6-10/h7,10,19H,3-6,8-9H2,1-2H3
InChIKeyKTMAWIAITDVQIX-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.06
Rot. Bonds4

About (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone

(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone (PubChem CID 66122570) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
PubChem CID66122570
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CC(O)(C3CC3)C2)n(CC)n1
InChIInChI=1S/C14H21N3O2/c1-3-11-7-12(17(4-2)15-11)13(18)16-8-14(19,9-16)10-5-6-10/h7,10,19H,3-6,8-9H2,1-2H3
InChIKeyKTMAWIAITDVQIX-UHFFFAOYSA-N
XLogP1.06
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-3-methylazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121428
(1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671135
azepan-1-yl-(1,3-diethylpyrazol-5-yl)methanone
CID 66120416
(3-amino-3-cyclopropylazetidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 66119791
(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121216
1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one
CID 66121196
(1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 66122379
(1,3-diethylpyrazol-5-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261829
(1,3-diethylpyrazol-5-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66122565
(1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428724
[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 114802193
1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid
CID 66122346

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone?
The IUPAC name of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone (CID 66122570) is (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone.
What is the SMILES notation for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone?
The canonical SMILES for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone is CCc1cc(C(=O)N2CC(O)(C3CC3)C2)n(CC)n1.
What is the InChIKey of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone?
The InChIKey is KTMAWIAITDVQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-11-7-12(17(4-2)15-11)13(18)16-8-14(19,9-16)10-5-6-10/h7,10,19H,3-6,8-9H2,1-2H3.
What are the key properties of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone?
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone is sourced from PubChem (CID 66122570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).