N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-propan-2-ylpropan-2-amine

C15H26ClN5 — CID 79275068

IUPACN-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCc1nn(C)c2c1nc(CCl)n2CCN(C(C)C)C(C)C
InChIInChI=1S/C15H26ClN5/c1-10(2)20(11(3)4)7-8-21-13(9-16)17-14-12(5)18-19(6)15(14)21/h10-11H,7-9H2,1-6H3
InChIKeyBNFFDWMWAQWMCF-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.94
Rot. Bonds6

About N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 79275068) has the molecular formula C15H26ClN5 and a molecular weight of 311.86 g/mol. Its IUPAC name is N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID79275068
Molecular FormulaC15H26ClN5
Molecular Weight311.86 g/mol
Exact Mass311.19
IUPAC NameN-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCc1nn(C)c2c1nc(CCl)n2CCN(C(C)C)C(C)C
InChIInChI=1S/C15H26ClN5/c1-10(2)20(11(3)4)7-8-21-13(9-16)17-14-12(5)18-19(6)15(14)21/h10-11H,7-9H2,1-6H3
InChIKeyBNFFDWMWAQWMCF-UHFFFAOYSA-N
XLogP2.94
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.94
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 N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-propan-2-ylpropan-2-amine (CID 79275068) is N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-propan-2-ylpropan-2-amine is Cc1nn(C)c2c1nc(CCl)n2CCN(C(C)C)C(C)C.
What is the InChIKey of N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is BNFFDWMWAQWMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN5/c1-10(2)20(11(3)4)7-8-21-13(9-16)17-14-12(5)18-19(6)15(14)21/h10-11H,7-9H2,1-6H3.
What are the key properties of N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 311.86 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 79275068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).