N-[2-(4-aminophenyl)pyrazol-3-yl]oxane-3-carboxamide

C15H18N4O2 — CID 63012340

IUPACN-[2-(4-aminophenyl)pyrazol-3-yl]oxane-3-carboxamide
SMILESNc1ccc(-n2nccc2NC(=O)C2CCCOC2)cc1
InChIInChI=1S/C15H18N4O2/c16-12-3-5-13(6-4-12)19-14(7-8-17-19)18-15(20)11-2-1-9-21-10-11/h3-8,11H,1-2,9-10,16H2,(H,18,20)
InChIKeyAEBJIKAVHPHEDE-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.82
Rot. Bonds3

About N-[2-(4-aminophenyl)pyrazol-3-yl]oxane-3-carboxamide

N-[2-(4-aminophenyl)pyrazol-3-yl]oxane-3-carboxamide (PubChem CID 63012340) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)pyrazol-3-yl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)pyrazol-3-yl]oxane-3-carboxamide
PubChem CID63012340
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[2-(4-aminophenyl)pyrazol-3-yl]oxane-3-carboxamide
SMILESNc1ccc(-n2nccc2NC(=O)C2CCCOC2)cc1
InChIInChI=1S/C15H18N4O2/c16-12-3-5-13(6-4-12)19-14(7-8-17-19)18-15(20)11-2-1-9-21-10-11/h3-8,11H,1-2,9-10,16H2,(H,18,20)
InChIKeyAEBJIKAVHPHEDE-UHFFFAOYSA-N
XLogP1.82
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[2-(4-aminophenyl)pyrazol-3-yl]oxane-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(4-aminophenyl)pyrazol-3-yl]acetamide
CID 62881877
N-[2-(4-aminophenyl)pyrazol-3-yl]-2-cyclopentylacetamide
CID 62881715
N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 110862080
N-(3-aminophenyl)oxane-3-carboxamide
CID 63011823
N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride
CID 119422429
N-(4-chloro-3-pyridinyl)oxane-3-carboxamide
CID 103745000
N-[2-(4-aminophenyl)pyrazol-3-yl]pyridine-2-carboxamide
CID 62881555
N-[2-(4-aminophenyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
CID 62881880
N-[4-(2-aminoethyl)phenyl]oxane-3-carboxamide
CID 63011148
N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide
CID 110862273
N-[2-(4-aminophenyl)pyrazol-3-yl]-5-methylfuran-2-carboxamide
CID 62880357
N-[2-(4-aminophenyl)pyrazol-3-yl]thiophene-3-carboxamide
CID 62881561

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)pyrazol-3-yl]oxane-3-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)pyrazol-3-yl]oxane-3-carboxamide (CID 63012340) is N-[2-(4-aminophenyl)pyrazol-3-yl]oxane-3-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)pyrazol-3-yl]oxane-3-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)pyrazol-3-yl]oxane-3-carboxamide is Nc1ccc(-n2nccc2NC(=O)C2CCCOC2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)pyrazol-3-yl]oxane-3-carboxamide?
The InChIKey is AEBJIKAVHPHEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-12-3-5-13(6-4-12)19-14(7-8-17-19)18-15(20)11-2-1-9-21-10-11/h3-8,11H,1-2,9-10,16H2,(H,18,20).
What are the key properties of N-[2-(4-aminophenyl)pyrazol-3-yl]oxane-3-carboxamide?
N-[2-(4-aminophenyl)pyrazol-3-yl]oxane-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)pyrazol-3-yl]oxane-3-carboxamide is sourced from PubChem (CID 63012340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).