N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine

C12H22N4O — CID 79578789

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCc1c(CNCCN2CCOCC2)cnn1C
InChIInChI=1S/C12H22N4O/c1-11-12(10-14-15(11)2)9-13-3-4-16-5-7-17-8-6-16/h10,13H,3-9H2,1-2H3
InChIKeyIEVXYVNHOHNEIM-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.15
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 79578789) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine
PubChem CID79578789
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCc1c(CNCCN2CCOCC2)cnn1C
InChIInChI=1S/C12H22N4O/c1-11-12(10-14-15(11)2)9-13-3-4-16-5-7-17-8-6-16/h10,13H,3-9H2,1-2H3
InChIKeyIEVXYVNHOHNEIM-UHFFFAOYSA-N
XLogP0.15
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 43220541
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 79604413
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 62742690
(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)-2-morpholin-4-ylethanamine
CID 99782963
3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 115767982
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine
CID 103851543
N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide
CID 79579132
2-tert-butylsulfanyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115767802
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 43524751
4-iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol
CID 45028510
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
CID 79579340

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine (CID 79578789) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine is Cc1c(CNCCN2CCOCC2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is IEVXYVNHOHNEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-11-12(10-14-15(11)2)9-13-3-4-16-5-7-17-8-6-16/h10,13H,3-9H2,1-2H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 238.33 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 79578789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).