2-[5-(chloromethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N-ethyl-N-methylethanamine

C14H24ClN5 — CID 79305099

IUPAC2-[5-(chloromethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N-ethyl-N-methylethanamine
SMILESCCCc1nn(C)c2c1nc(CCl)n2CCN(C)CC
InChIInChI=1S/C14H24ClN5/c1-5-7-11-13-14(19(4)17-11)20(12(10-15)16-13)9-8-18(3)6-2/h5-10H2,1-4H3
InChIKeyAMFBXAXAUWEDBZ-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.41
Rot. Bonds7

About 2-[5-(chloromethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N-ethyl-N-methylethanamine

2-[5-(chloromethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N-ethyl-N-methylethanamine (PubChem CID 79305099) has the molecular formula C14H24ClN5 and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[5-(chloromethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(chloromethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N-ethyl-N-methylethanamine
PubChem CID79305099
Molecular FormulaC14H24ClN5
Molecular Weight297.83 g/mol
Exact Mass297.17
IUPAC Name2-[5-(chloromethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N-ethyl-N-methylethanamine
SMILESCCCc1nn(C)c2c1nc(CCl)n2CCN(C)CC
InChIInChI=1S/C14H24ClN5/c1-5-7-11-13-14(19(4)17-11)20(12(10-15)16-13)9-8-18(3)6-2/h5-10H2,1-4H3
InChIKeyAMFBXAXAUWEDBZ-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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-(chloromethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N-ethyl-N-methylethanamine?
The IUPAC name of 2-[5-(chloromethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N-ethyl-N-methylethanamine (CID 79305099) is 2-[5-(chloromethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-[5-(chloromethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-[5-(chloromethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N-ethyl-N-methylethanamine is CCCc1nn(C)c2c1nc(CCl)n2CCN(C)CC.
What is the InChIKey of 2-[5-(chloromethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N-ethyl-N-methylethanamine?
The InChIKey is AMFBXAXAUWEDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5/c1-5-7-11-13-14(19(4)17-11)20(12(10-15)16-13)9-8-18(3)6-2/h5-10H2,1-4H3.
What are the key properties of 2-[5-(chloromethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N-ethyl-N-methylethanamine?
2-[5-(chloromethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N-ethyl-N-methylethanamine has a molecular weight of 297.83 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(chloromethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N-ethyl-N-methylethanamine is sourced from PubChem (CID 79305099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).