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

C14H16N4O2 — CID 43475319

IUPAC[1-(4-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESNc1ccc(-n2ccc(C(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C14H16N4O2/c15-11-1-3-12(4-2-11)18-6-5-13(16-18)14(19)17-7-9-20-10-8-17/h1-6H,7-10,15H2
InChIKeyCWUFFBNFALBUFT-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.93
Rot. Bonds2

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

[1-(4-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 43475319) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is [1-(4-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID43475319
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name[1-(4-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESNc1ccc(-n2ccc(C(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C14H16N4O2/c15-11-1-3-12(4-2-11)18-6-5-13(16-18)14(19)17-7-9-20-10-8-17/h1-6H,7-10,15H2
InChIKeyCWUFFBNFALBUFT-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 43475408
1-(4-aminophenyl)pyrazole-3-carboxamide
CID 25247604
oxetan-3-yl 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 115669822
[1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400312
(2S)-4-[1-(4-fluorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 125120561
(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 125148641
[5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 82188848
[1-(3-aminophenyl)pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 107209960
3-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propanoic acid
CID 19623576
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119519940
morpholin-4-yl-[1-(6-phenylindolizin-3-yl)pyrazol-3-yl]methanone
CID 97407496
methoxymethyl 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 65365026

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone (CID 43475319) is [1-(4-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone is Nc1ccc(-n2ccc(C(=O)N3CCOCC3)n2)cc1.
What is the InChIKey of [1-(4-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is CWUFFBNFALBUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-11-1-3-12(4-2-11)18-6-5-13(16-18)14(19)17-7-9-20-10-8-17/h1-6H,7-10,15H2.
What are the key properties of [1-(4-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
[1-(4-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-(4-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 43475319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).