4-[2-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine

C14H22ClN5O — CID 79281623

IUPAC4-[2-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine
SMILESCCc1nn(C)c2c1nc(CCl)n2CCN1CCOCC1
InChIInChI=1S/C14H22ClN5O/c1-3-11-13-14(18(2)17-11)20(12(10-15)16-13)5-4-19-6-8-21-9-7-19/h3-10H2,1-2H3
InChIKeyAYVKEEIXKUJKIP-UHFFFAOYSA-N
MW311.82 g/mol
LogP1.40
Rot. Bonds5

About 4-[2-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine

4-[2-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine (PubChem CID 79281623) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 4-[2-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine
PubChem CID79281623
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name4-[2-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine
SMILESCCc1nn(C)c2c1nc(CCl)n2CCN1CCOCC1
InChIInChI=1S/C14H22ClN5O/c1-3-11-13-14(18(2)17-11)20(12(10-15)16-13)5-4-19-6-8-21-9-7-19/h3-10H2,1-2H3
InChIKeyAYVKEEIXKUJKIP-UHFFFAOYSA-N
XLogP1.40
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine (CID 79281623) is 4-[2-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine is CCc1nn(C)c2c1nc(CCl)n2CCN1CCOCC1.
What is the InChIKey of 4-[2-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine?
The InChIKey is AYVKEEIXKUJKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5O/c1-3-11-13-14(18(2)17-11)20(12(10-15)16-13)5-4-19-6-8-21-9-7-19/h3-10H2,1-2H3.
What are the key properties of 4-[2-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine?
4-[2-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine has a molecular weight of 311.82 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine is sourced from PubChem (CID 79281623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).