3-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylpropan-1-amine

C15H26ClN5 — CID 79275082

IUPAC3-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCn1c(C(C)Cl)nc2c(C)nn(C)c21
InChIInChI=1S/C15H26ClN5/c1-6-20(7-2)9-8-10-21-14(11(3)16)17-13-12(4)18-19(5)15(13)21/h11H,6-10H2,1-5H3
InChIKeyGVUVHTSFCUNGIL-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.11
Rot. Bonds7

About 3-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylpropan-1-amine

3-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylpropan-1-amine (PubChem CID 79275082) has the molecular formula C15H26ClN5 and a molecular weight of 311.86 g/mol. Its IUPAC name is 3-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylpropan-1-amine
PubChem CID79275082
Molecular FormulaC15H26ClN5
Molecular Weight311.86 g/mol
Exact Mass311.19
IUPAC Name3-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCn1c(C(C)Cl)nc2c(C)nn(C)c21
InChIInChI=1S/C15H26ClN5/c1-6-20(7-2)9-8-10-21-14(11(3)16)17-13-12(4)18-19(5)15(13)21/h11H,6-10H2,1-5H3
InChIKeyGVUVHTSFCUNGIL-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylpropan-1-amine?
The IUPAC name of 3-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylpropan-1-amine (CID 79275082) is 3-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylpropan-1-amine is CCN(CC)CCCn1c(C(C)Cl)nc2c(C)nn(C)c21.
What is the InChIKey of 3-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylpropan-1-amine?
The InChIKey is GVUVHTSFCUNGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN5/c1-6-20(7-2)9-8-10-21-14(11(3)16)17-13-12(4)18-19(5)15(13)21/h11H,6-10H2,1-5H3.
What are the key properties of 3-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylpropan-1-amine?
3-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylpropan-1-amine has a molecular weight of 311.86 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylpropan-1-amine is sourced from PubChem (CID 79275082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).