1-[2-(4-methylpyrazol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine

C14H26N6O — CID 111806210

IUPAC1-[2-(4-methylpyrazol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCc1cnn(CCN/C(N)=N/CCCN2CCOCC2)c1
InChIInChI=1S/C14H26N6O/c1-13-11-18-20(12-13)6-4-17-14(15)16-3-2-5-19-7-9-21-10-8-19/h11-12H,2-10H2,1H3,(H3,15,16,17)
InChIKeyDEZYJLPAUHVIAY-UHFFFAOYSA-N
MW294.40 g/mol
LogP-0.18
Rot. Bonds7

About 1-[2-(4-methylpyrazol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine

1-[2-(4-methylpyrazol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 111806210) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[2-(4-methylpyrazol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(4-methylpyrazol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
PubChem CID111806210
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name1-[2-(4-methylpyrazol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCc1cnn(CCN/C(N)=N/CCCN2CCOCC2)c1
InChIInChI=1S/C14H26N6O/c1-13-11-18-20(12-13)6-4-17-14(15)16-3-2-5-19-7-9-21-10-8-19/h11-12H,2-10H2,1H3,(H3,15,16,17)
InChIKeyDEZYJLPAUHVIAY-UHFFFAOYSA-N
XLogP-0.18
TPSA80.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylbutyl)-1-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 111806225
1-[2-(azepan-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111057007
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111806660
1,2-bis(2-morpholin-4-ylethyl)guanidine
CID 141003386
1-[2-(4-methylphenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111033334
1-[2-(4-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056682
1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111054905
2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 19526449
N-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboxamide
CID 113238079
1-[2-[ethyl(propyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111600589
1-(3,5-dimethylphenyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111023507
1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111056854

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpyrazol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-[2-(4-methylpyrazol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine (CID 111806210) is 1-[2-(4-methylpyrazol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-[2-(4-methylpyrazol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-[2-(4-methylpyrazol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine is Cc1cnn(CCN/C(N)=N/CCCN2CCOCC2)c1.
What is the InChIKey of 1-[2-(4-methylpyrazol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is DEZYJLPAUHVIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-13-11-18-20(12-13)6-4-17-14(15)16-3-2-5-19-7-9-21-10-8-19/h11-12H,2-10H2,1H3,(H3,15,16,17).
What are the key properties of 1-[2-(4-methylpyrazol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine?
1-[2-(4-methylpyrazol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 294.40 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpyrazol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111806210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).