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

C13H22ClN5 — CID 79300638

IUPAC1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-2-amine
SMILESCCc1nn(C)c2c1nc(CCl)n2CC(C)N(C)C
InChIInChI=1S/C13H22ClN5/c1-6-10-12-13(18(5)16-10)19(11(7-14)15-12)8-9(2)17(3)4/h9H,6-8H2,1-5H3
InChIKeyGDVKONLQFSDEAS-UHFFFAOYSA-N
MW283.81 g/mol
LogP2.02
Rot. Bonds5

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

1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-2-amine (PubChem CID 79300638) has the molecular formula C13H22ClN5 and a molecular weight of 283.81 g/mol. Its IUPAC name is 1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-2-amine
PubChem CID79300638
Molecular FormulaC13H22ClN5
Molecular Weight283.81 g/mol
Exact Mass283.16
IUPAC Name1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-2-amine
SMILESCCc1nn(C)c2c1nc(CCl)n2CC(C)N(C)C
InChIInChI=1S/C13H22ClN5/c1-6-10-12-13(18(5)16-10)19(11(7-14)15-12)8-9(2)17(3)4/h9H,6-8H2,1-5H3
InChIKeyGDVKONLQFSDEAS-UHFFFAOYSA-N
XLogP2.02
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 52.02
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 1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-2-amine?
The IUPAC name of 1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-2-amine (CID 79300638) is 1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-2-amine?
The canonical SMILES for 1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-2-amine is CCc1nn(C)c2c1nc(CCl)n2CC(C)N(C)C.
What is the InChIKey of 1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-2-amine?
The InChIKey is GDVKONLQFSDEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5/c1-6-10-12-13(18(5)16-10)19(11(7-14)15-12)8-9(2)17(3)4/h9H,6-8H2,1-5H3.
What are the key properties of 1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-2-amine?
1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-2-amine has a molecular weight of 283.81 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 79300638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).