N-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide

C16H20N4O2 — CID 155513256

IUPACN-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide
SMILESO=C(NCCn1ccc(-c2ccccc2)n1)N1CCOCC1
InChIInChI=1S/C16H20N4O2/c21-16(19-10-12-22-13-11-19)17-7-9-20-8-6-15(18-20)14-4-2-1-3-5-14/h1-6,8H,7,9-13H2,(H,17,21)
InChIKeyALWQVPPGZUDFJG-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.59
Rot. Bonds4

About N-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide

N-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide (PubChem CID 155513256) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide
PubChem CID155513256
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide
SMILESO=C(NCCn1ccc(-c2ccccc2)n1)N1CCOCC1
InChIInChI=1S/C16H20N4O2/c21-16(19-10-12-22-13-11-19)17-7-9-20-8-6-15(18-20)14-4-2-1-3-5-14/h1-6,8H,7,9-13H2,(H,17,21)
InChIKeyALWQVPPGZUDFJG-UHFFFAOYSA-N
XLogP1.59
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-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-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide (CID 155513256) is N-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide is O=C(NCCn1ccc(-c2ccccc2)n1)N1CCOCC1.
What is the InChIKey of N-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide?
The InChIKey is ALWQVPPGZUDFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16(19-10-12-22-13-11-19)17-7-9-20-8-6-15(18-20)14-4-2-1-3-5-14/h1-6,8H,7,9-13H2,(H,17,21).
What are the key properties of N-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide?
N-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 155513256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).