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

C14H24ClN5 — CID 79307619

IUPAC3-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-1-amine
SMILESCCn1nc(C)c2nc(CCCl)n(CCCN(C)C)c21
InChIInChI=1S/C14H24ClN5/c1-5-20-14-13(11(2)17-20)16-12(7-8-15)19(14)10-6-9-18(3)4/h5-10H2,1-4H3
InChIKeyMBMOCGRJOINDMP-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.29
Rot. Bonds7

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

3-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-1-amine (PubChem CID 79307619) has the molecular formula C14H24ClN5 and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-1-amine
PubChem CID79307619
Molecular FormulaC14H24ClN5
Molecular Weight297.83 g/mol
Exact Mass297.17
IUPAC Name3-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-1-amine
SMILESCCn1nc(C)c2nc(CCCl)n(CCCN(C)C)c21
InChIInChI=1S/C14H24ClN5/c1-5-20-14-13(11(2)17-20)16-12(7-8-15)19(14)10-6-9-18(3)4/h5-10H2,1-4H3
InChIKeyMBMOCGRJOINDMP-UHFFFAOYSA-N
XLogP2.29
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.29
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 3-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-1-amine (CID 79307619) is 3-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-1-amine is CCn1nc(C)c2nc(CCCl)n(CCCN(C)C)c21.
What is the InChIKey of 3-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is MBMOCGRJOINDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5/c1-5-20-14-13(11(2)17-20)16-12(7-8-15)19(14)10-6-9-18(3)4/h5-10H2,1-4H3.
What are the key properties of 3-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-1-amine?
3-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 297.83 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 79307619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).