4-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine

C21H28N4O — CID 50962738

IUPAC4-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine
SMILESCc1ccccc1-n1cc(C2=CCN(CCN3CCOCC3)CC2)cn1
InChIInChI=1S/C21H28N4O/c1-18-4-2-3-5-21(18)25-17-20(16-22-25)19-6-8-23(9-7-19)10-11-24-12-14-26-15-13-24/h2-6,16-17H,7-15H2,1H3
InChIKeyXPVGDLYRPAJBOZ-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.60
Rot. Bonds5

About 4-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine

4-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine (PubChem CID 50962738) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine
PubChem CID50962738
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name4-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine
SMILESCc1ccccc1-n1cc(C2=CCN(CCN3CCOCC3)CC2)cn1
InChIInChI=1S/C21H28N4O/c1-18-4-2-3-5-21(18)25-17-20(16-22-25)19-6-8-23(9-7-19)10-11-24-12-14-26-15-13-24/h2-6,16-17H,7-15H2,1H3
InChIKeyXPVGDLYRPAJBOZ-UHFFFAOYSA-N
XLogP2.60
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine 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 4-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine (CID 50962738) is 4-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine is Cc1ccccc1-n1cc(C2=CCN(CCN3CCOCC3)CC2)cn1.
What is the InChIKey of 4-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine?
The InChIKey is XPVGDLYRPAJBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-18-4-2-3-5-21(18)25-17-20(16-22-25)19-6-8-23(9-7-19)10-11-24-12-14-26-15-13-24/h2-6,16-17H,7-15H2,1H3.
What are the key properties of 4-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine?
4-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine has a molecular weight of 352.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[1-(2-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine is sourced from PubChem (CID 50962738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).