[1-(3-aminophenyl)pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone

C13H14N4O2 — CID 107209960

IUPAC[1-(3-aminophenyl)pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone
SMILESNc1cccc(-n2ccc(C(=O)N3CC(O)C3)n2)c1
InChIInChI=1S/C13H14N4O2/c14-9-2-1-3-10(6-9)17-5-4-12(15-17)13(19)16-7-11(18)8-16/h1-6,11,18H,7-8,14H2
InChIKeyHWTYBJSXGGNVSS-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.27
Rot. Bonds2

About [1-(3-aminophenyl)pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone

[1-(3-aminophenyl)pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 107209960) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is [1-(3-aminophenyl)pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-aminophenyl)pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone
PubChem CID107209960
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name[1-(3-aminophenyl)pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone
SMILESNc1cccc(-n2ccc(C(=O)N3CC(O)C3)n2)c1
InChIInChI=1S/C13H14N4O2/c14-9-2-1-3-10(6-9)17-5-4-12(15-17)13(19)16-7-11(18)8-16/h1-6,11,18H,7-8,14H2
InChIKeyHWTYBJSXGGNVSS-UHFFFAOYSA-N
XLogP0.27
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 43475408
cyclobutyl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 62383833
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 120660118
(3-hydroxypiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
CID 111435912
cyclopropylmethoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 106930469
methoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 65365024
1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide
CID 43475412
[1-(3-chlorophenyl)pyrazol-3-yl]-[(3R,4R)-3-(dimethylamino)-4-methylsulfanylpyrrolidin-1-yl]methanone
CID 97247160
(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide
CID 95149478
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone
CID 99778992
[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 47076704
1-(3-aminophenyl)-N-propylpyrazole-3-carboxamide
CID 43475405

Frequently Asked Questions

What is the IUPAC name of [1-(3-aminophenyl)pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [1-(3-aminophenyl)pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone (CID 107209960) is [1-(3-aminophenyl)pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [1-(3-aminophenyl)pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [1-(3-aminophenyl)pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone is Nc1cccc(-n2ccc(C(=O)N3CC(O)C3)n2)c1.
What is the InChIKey of [1-(3-aminophenyl)pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is HWTYBJSXGGNVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-9-2-1-3-10(6-9)17-5-4-12(15-17)13(19)16-7-11(18)8-16/h1-6,11,18H,7-8,14H2.
What are the key properties of [1-(3-aminophenyl)pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone?
[1-(3-aminophenyl)pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 258.28 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminophenyl)pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 107209960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).