[1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone

C14H16N4O2 — CID 43475408

IUPAC[1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESNc1cccc(-n2ccc(C(=O)N3CCOCC3)n2)c1
InChIInChI=1S/C14H16N4O2/c15-11-2-1-3-12(10-11)18-5-4-13(16-18)14(19)17-6-8-20-9-7-17/h1-5,10H,6-9,15H2
InChIKeyXYFPGTOUBAGGGN-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.93
Rot. Bonds2

About [1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone

[1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 43475408) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is [1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID43475408
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name[1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESNc1cccc(-n2ccc(C(=O)N3CCOCC3)n2)c1
InChIInChI=1S/C14H16N4O2/c15-11-2-1-3-12(10-11)18-5-4-13(16-18)14(19)17-6-8-20-9-7-17/h1-5,10H,6-9,15H2
InChIKeyXYFPGTOUBAGGGN-UHFFFAOYSA-N
XLogP0.93
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 43475319
[1-(3-aminophenyl)pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 107209960
cyclobutyl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 62383833
(2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 125120451
methoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 65365024
1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide
CID 43475412
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119518136
morpholin-4-yl-[1-(6-phenylindolizin-3-yl)pyrazol-3-yl]methanone
CID 97407496
[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 47076704
(3R)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid
CID 125153701
(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone;hydrochloride
CID 119376941
(4-aminopiperidin-1-yl)-[1-(3-nitrophenyl)pyrazol-3-yl]methanone
CID 119375214

Frequently Asked Questions

What is the IUPAC name of [1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone (CID 43475408) is [1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone is Nc1cccc(-n2ccc(C(=O)N3CCOCC3)n2)c1.
What is the InChIKey of [1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is XYFPGTOUBAGGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-11-2-1-3-12(10-11)18-5-4-13(16-18)14(19)17-6-8-20-9-7-17/h1-5,10H,6-9,15H2.
What are the key properties of [1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
[1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 272.31 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 43475408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).