[1-(2-aminophenyl)pyrazol-3-yl]-(3-methylmorpholin-4-yl)methanone

C15H18N4O2 — CID 43541582

IUPAC[1-(2-aminophenyl)pyrazol-3-yl]-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1ccn(-c2ccccc2N)n1
InChIInChI=1S/C15H18N4O2/c1-11-10-21-9-8-18(11)15(20)13-6-7-19(17-13)14-5-3-2-4-12(14)16/h2-7,11H,8-10,16H2,1H3
InChIKeyJUGMXARDVCXQMS-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.32
Rot. Bonds2

About [1-(2-aminophenyl)pyrazol-3-yl]-(3-methylmorpholin-4-yl)methanone

[1-(2-aminophenyl)pyrazol-3-yl]-(3-methylmorpholin-4-yl)methanone (PubChem CID 43541582) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is [1-(2-aminophenyl)pyrazol-3-yl]-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(2-aminophenyl)pyrazol-3-yl]-(3-methylmorpholin-4-yl)methanone
PubChem CID43541582
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name[1-(2-aminophenyl)pyrazol-3-yl]-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1ccn(-c2ccccc2N)n1
InChIInChI=1S/C15H18N4O2/c1-11-10-21-9-8-18(11)15(20)13-6-7-19(17-13)14-5-3-2-4-12(14)16/h2-7,11H,8-10,16H2,1H3
InChIKeyJUGMXARDVCXQMS-UHFFFAOYSA-N
XLogP1.32
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-(2-aminophenyl)pyrazol-3-yl]-(3-methylmorpholin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminophenyl)pyrazol-3-yl]-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of [1-(2-aminophenyl)pyrazol-3-yl]-(3-methylmorpholin-4-yl)methanone (CID 43541582) is [1-(2-aminophenyl)pyrazol-3-yl]-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-(2-aminophenyl)pyrazol-3-yl]-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for [1-(2-aminophenyl)pyrazol-3-yl]-(3-methylmorpholin-4-yl)methanone is CC1COCCN1C(=O)c1ccn(-c2ccccc2N)n1.
What is the InChIKey of [1-(2-aminophenyl)pyrazol-3-yl]-(3-methylmorpholin-4-yl)methanone?
The InChIKey is JUGMXARDVCXQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-10-21-9-8-18(11)15(20)13-6-7-19(17-13)14-5-3-2-4-12(14)16/h2-7,11H,8-10,16H2,1H3.
What are the key properties of [1-(2-aminophenyl)pyrazol-3-yl]-(3-methylmorpholin-4-yl)methanone?
[1-(2-aminophenyl)pyrazol-3-yl]-(3-methylmorpholin-4-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminophenyl)pyrazol-3-yl]-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 43541582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).