N-(2-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-4-carboxamide

C16H20N4O2 — CID 162658317

IUPACN-(2-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C16H20N4O2/c21-16(17-6-7-20-8-10-22-11-9-20)14-12-18-19-15(14)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,21)(H,18,19)
InChIKeyRRMIADUZPCFLJK-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.14
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-4-carboxamide

N-(2-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 162658317) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID162658317
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(2-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C16H20N4O2/c21-16(17-6-7-20-8-10-22-11-9-20)14-12-18-19-15(14)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,21)(H,18,19)
InChIKeyRRMIADUZPCFLJK-UHFFFAOYSA-N
XLogP1.14
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-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-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-4-carboxamide (CID 162658317) is N-(2-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-4-carboxamide is O=C(NCCN1CCOCC1)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is RRMIADUZPCFLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16(17-6-7-20-8-10-22-11-9-20)14-12-18-19-15(14)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,21)(H,18,19).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-4-carboxamide?
N-(2-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 162658317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).