2-[5-(1-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylethanamine

C15H26ClN5 — CID 79284812

IUPAC2-[5-(1-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCn1c(C(C)Cl)nc2c(C)nn(CC)c21
InChIInChI=1S/C15H26ClN5/c1-6-19(7-2)9-10-20-14(11(4)16)17-13-12(5)18-21(8-3)15(13)20/h11H,6-10H2,1-5H3
InChIKeyZWRWCAISCORDHN-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.20
Rot. Bonds7

About 2-[5-(1-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylethanamine

2-[5-(1-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylethanamine (PubChem CID 79284812) has the molecular formula C15H26ClN5 and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-[5-(1-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[5-(1-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylethanamine
PubChem CID79284812
Molecular FormulaC15H26ClN5
Molecular Weight311.86 g/mol
Exact Mass311.19
IUPAC Name2-[5-(1-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCn1c(C(C)Cl)nc2c(C)nn(CC)c21
InChIInChI=1S/C15H26ClN5/c1-6-19(7-2)9-10-20-14(11(4)16)17-13-12(5)18-21(8-3)15(13)20/h11H,6-10H2,1-5H3
InChIKeyZWRWCAISCORDHN-UHFFFAOYSA-N
XLogP3.20
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-[5-(1-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[5-(1-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylethanamine (CID 79284812) is 2-[5-(1-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[5-(1-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[5-(1-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylethanamine is CCN(CC)CCn1c(C(C)Cl)nc2c(C)nn(CC)c21.
What is the InChIKey of 2-[5-(1-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylethanamine?
The InChIKey is ZWRWCAISCORDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN5/c1-6-19(7-2)9-10-20-14(11(4)16)17-13-12(5)18-21(8-3)15(13)20/h11H,6-10H2,1-5H3.
What are the key properties of 2-[5-(1-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylethanamine?
2-[5-(1-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylethanamine has a molecular weight of 311.86 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylethanamine is sourced from PubChem (CID 79284812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).