4-[4-[2-(2,2-dimethylcyclopentyl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine

C20H29N3O — CID 142794129

IUPAC4-[4-[2-(2,2-dimethylcyclopentyl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine
SMILESCC1(C)CCCC1N1CCC(c2ccc(N3CCOCC3)cc2)=N1
InChIInChI=1S/C20H29N3O/c1-20(2)10-3-4-19(20)23-11-9-18(21-23)16-5-7-17(8-6-16)22-12-14-24-15-13-22/h5-8,19H,3-4,9-15H2,1-2H3
InChIKeyGLPWRSGBXZGLKG-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.51
Rot. Bonds3

About 4-[4-[2-(2,2-dimethylcyclopentyl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine

4-[4-[2-(2,2-dimethylcyclopentyl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine (PubChem CID 142794129) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 4-[4-[2-(2,2-dimethylcyclopentyl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[2-(2,2-dimethylcyclopentyl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine
PubChem CID142794129
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name4-[4-[2-(2,2-dimethylcyclopentyl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine
SMILESCC1(C)CCCC1N1CCC(c2ccc(N3CCOCC3)cc2)=N1
InChIInChI=1S/C20H29N3O/c1-20(2)10-3-4-19(20)23-11-9-18(21-23)16-5-7-17(8-6-16)22-12-14-24-15-13-22/h5-8,19H,3-4,9-15H2,1-2H3
InChIKeyGLPWRSGBXZGLKG-UHFFFAOYSA-N
XLogP3.51
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-[2-(2,2-dimethylcyclopentyl)-3,4-dihydropyrazol-5-yl]phenyl]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-[4-[2-(2,2-dimethylcyclopentyl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[2-(2,2-dimethylcyclopentyl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine (CID 142794129) is 4-[4-[2-(2,2-dimethylcyclopentyl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[2-(2,2-dimethylcyclopentyl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[2-(2,2-dimethylcyclopentyl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine is CC1(C)CCCC1N1CCC(c2ccc(N3CCOCC3)cc2)=N1.
What is the InChIKey of 4-[4-[2-(2,2-dimethylcyclopentyl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine?
The InChIKey is GLPWRSGBXZGLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-20(2)10-3-4-19(20)23-11-9-18(21-23)16-5-7-17(8-6-16)22-12-14-24-15-13-22/h5-8,19H,3-4,9-15H2,1-2H3.
What are the key properties of 4-[4-[2-(2,2-dimethylcyclopentyl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine?
4-[4-[2-(2,2-dimethylcyclopentyl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine has a molecular weight of 327.47 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2,2-dimethylcyclopentyl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine is sourced from PubChem (CID 142794129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).