(3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone

C13H13N3O2 — CID 55176659

IUPAC(3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CC(O)C1
InChIInChI=1S/C13H13N3O2/c17-12-8-15(9-12)13(18)10-2-4-11(5-3-10)16-7-1-6-14-16/h1-7,12,17H,8-9H2
InChIKeyXZSAKVGFZNYDLN-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.69
Rot. Bonds2

About (3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone

(3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone (PubChem CID 55176659) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
PubChem CID55176659
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name(3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CC(O)C1
InChIInChI=1S/C13H13N3O2/c17-12-8-15(9-12)13(18)10-2-4-11(5-3-10)16-7-1-6-14-16/h1-7,12,17H,8-9H2
InChIKeyXZSAKVGFZNYDLN-UHFFFAOYSA-N
XLogP0.69
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 114680189
1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63005917
4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione
CID 66083192
piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 119401221
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 9462299
[4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 32532341
N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide
CID 43064091
[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 155505876
(4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67389917
4-pyrazol-1-ylbenzoate
CID 5158283
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 120820264
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 164698223

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone (CID 55176659) is (3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone is O=C(c1ccc(-n2cccn2)cc1)N1CC(O)C1.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone?
The InChIKey is XZSAKVGFZNYDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-12-8-15(9-12)13(18)10-2-4-11(5-3-10)16-7-1-6-14-16/h1-7,12,17H,8-9H2.
What are the key properties of (3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone?
(3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone has a molecular weight of 243.27 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 55176659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).