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

C14H22ClN5O — CID 79273910

IUPAC4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine
SMILESCc1nn(C)c2c1nc(C(C)Cl)n2CCN1CCOCC1
InChIInChI=1S/C14H22ClN5O/c1-10(15)13-16-12-11(2)17-18(3)14(12)20(13)5-4-19-6-8-21-9-7-19/h10H,4-9H2,1-3H3
InChIKeyJPZKYFMJKPIUMS-UHFFFAOYSA-N
MW311.82 g/mol
LogP1.71
Rot. Bonds4

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

4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine (PubChem CID 79273910) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine
PubChem CID79273910
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine
SMILESCc1nn(C)c2c1nc(C(C)Cl)n2CCN1CCOCC1
InChIInChI=1S/C14H22ClN5O/c1-10(15)13-16-12-11(2)17-18(3)14(12)20(13)5-4-19-6-8-21-9-7-19/h10H,4-9H2,1-3H3
InChIKeyJPZKYFMJKPIUMS-UHFFFAOYSA-N
XLogP1.71
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 51.71
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-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine (CID 79273910) is 4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine is Cc1nn(C)c2c1nc(C(C)Cl)n2CCN1CCOCC1.
What is the InChIKey of 4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine?
The InChIKey is JPZKYFMJKPIUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5O/c1-10(15)13-16-12-11(2)17-18(3)14(12)20(13)5-4-19-6-8-21-9-7-19/h10H,4-9H2,1-3H3.
What are the key properties of 4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine?
4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine has a molecular weight of 311.82 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]morpholine is sourced from PubChem (CID 79273910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).