1-(2-aminophenyl)-N-(oxan-3-yl)pyrazole-3-carboxamide

C15H18N4O2 — CID 63360121

IUPAC1-(2-aminophenyl)-N-(oxan-3-yl)pyrazole-3-carboxamide
SMILESNc1ccccc1-n1ccc(C(=O)NC2CCCOC2)n1
InChIInChI=1S/C15H18N4O2/c16-12-5-1-2-6-14(12)19-8-7-13(18-19)15(20)17-11-4-3-9-21-10-11/h1-2,5-8,11H,3-4,9-10,16H2,(H,17,20)
InChIKeyBDQFHGIVFHBWJI-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.36
Rot. Bonds3

About 1-(2-aminophenyl)-N-(oxan-3-yl)pyrazole-3-carboxamide

1-(2-aminophenyl)-N-(oxan-3-yl)pyrazole-3-carboxamide (PubChem CID 63360121) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-(oxan-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-(oxan-3-yl)pyrazole-3-carboxamide
PubChem CID63360121
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-(2-aminophenyl)-N-(oxan-3-yl)pyrazole-3-carboxamide
SMILESNc1ccccc1-n1ccc(C(=O)NC2CCCOC2)n1
InChIInChI=1S/C15H18N4O2/c16-12-5-1-2-6-14(12)19-8-7-13(18-19)15(20)17-11-4-3-9-21-10-11/h1-2,5-8,11H,3-4,9-10,16H2,(H,17,20)
InChIKeyBDQFHGIVFHBWJI-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-(oxan-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-aminophenyl)-N-(oxan-3-yl)pyrazole-3-carboxamide (CID 63360121) is 1-(2-aminophenyl)-N-(oxan-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-(oxan-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-aminophenyl)-N-(oxan-3-yl)pyrazole-3-carboxamide is Nc1ccccc1-n1ccc(C(=O)NC2CCCOC2)n1.
What is the InChIKey of 1-(2-aminophenyl)-N-(oxan-3-yl)pyrazole-3-carboxamide?
The InChIKey is BDQFHGIVFHBWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-12-5-1-2-6-14(12)19-8-7-13(18-19)15(20)17-11-4-3-9-21-10-11/h1-2,5-8,11H,3-4,9-10,16H2,(H,17,20).
What are the key properties of 1-(2-aminophenyl)-N-(oxan-3-yl)pyrazole-3-carboxamide?
1-(2-aminophenyl)-N-(oxan-3-yl)pyrazole-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-(oxan-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 63360121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).