N-[1-(2-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide

C16H20N4O2 — CID 119781649

IUPACN-[1-(2-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
SMILESCC(NC(=O)C1COCCN1)c1ccccc1-n1cccn1
InChIInChI=1S/C16H20N4O2/c1-12(19-16(21)14-11-22-10-8-17-14)13-5-2-3-6-15(13)20-9-4-7-18-20/h2-7,9,12,14,17H,8,10-11H2,1H3,(H,19,21)
InChIKeyNXAKQIYACFHDAY-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.04
Rot. Bonds4

About N-[1-(2-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide

N-[1-(2-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide (PubChem CID 119781649) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[1-(2-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
PubChem CID119781649
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[1-(2-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
SMILESCC(NC(=O)C1COCCN1)c1ccccc1-n1cccn1
InChIInChI=1S/C16H20N4O2/c1-12(19-16(21)14-11-22-10-8-17-14)13-5-2-3-6-15(13)20-9-4-7-18-20/h2-7,9,12,14,17H,8,10-11H2,1H3,(H,19,21)
InChIKeyNXAKQIYACFHDAY-UHFFFAOYSA-N
XLogP1.04
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-pyrazol-1-ylphenyl)ethyl]morpholine-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

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide?
The IUPAC name of N-[1-(2-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide (CID 119781649) is N-[1-(2-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[1-(2-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide?
The canonical SMILES for N-[1-(2-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide is CC(NC(=O)C1COCCN1)c1ccccc1-n1cccn1.
What is the InChIKey of N-[1-(2-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide?
The InChIKey is NXAKQIYACFHDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12(19-16(21)14-11-22-10-8-17-14)13-5-2-3-6-15(13)20-9-4-7-18-20/h2-7,9,12,14,17H,8,10-11H2,1H3,(H,19,21).
What are the key properties of N-[1-(2-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide?
N-[1-(2-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 119781649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).