7-(chloromethyl)-6-cyclopropyl-1-(2-methylpropyl)imidazo[1,2-b]pyrazole

C13H18ClN3 — CID 121215247

IUPAC7-(chloromethyl)-6-cyclopropyl-1-(2-methylpropyl)imidazo[1,2-b]pyrazole
SMILESCC(C)Cn1ccn2nc(C3CC3)c(CCl)c12
InChIInChI=1S/C13H18ClN3/c1-9(2)8-16-5-6-17-13(16)11(7-14)12(15-17)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyPFLZSCDTHIZWEK-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.41
Rot. Bonds4

About 7-(chloromethyl)-6-cyclopropyl-1-(2-methylpropyl)imidazo[1,2-b]pyrazole

7-(chloromethyl)-6-cyclopropyl-1-(2-methylpropyl)imidazo[1,2-b]pyrazole (PubChem CID 121215247) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 7-(chloromethyl)-6-cyclopropyl-1-(2-methylpropyl)imidazo[1,2-b]pyrazole.

Molecular Properties

Compound Name7-(chloromethyl)-6-cyclopropyl-1-(2-methylpropyl)imidazo[1,2-b]pyrazole
PubChem CID121215247
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name7-(chloromethyl)-6-cyclopropyl-1-(2-methylpropyl)imidazo[1,2-b]pyrazole
SMILESCC(C)Cn1ccn2nc(C3CC3)c(CCl)c12
InChIInChI=1S/C13H18ClN3/c1-9(2)8-16-5-6-17-13(16)11(7-14)12(15-17)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyPFLZSCDTHIZWEK-UHFFFAOYSA-N
XLogP3.41
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 7-(chloromethyl)-6-cyclopropyl-1-(2-methylpropyl)imidazo[1,2-b]pyrazole?
The IUPAC name of 7-(chloromethyl)-6-cyclopropyl-1-(2-methylpropyl)imidazo[1,2-b]pyrazole (CID 121215247) is 7-(chloromethyl)-6-cyclopropyl-1-(2-methylpropyl)imidazo[1,2-b]pyrazole.
What is the SMILES notation for 7-(chloromethyl)-6-cyclopropyl-1-(2-methylpropyl)imidazo[1,2-b]pyrazole?
The canonical SMILES for 7-(chloromethyl)-6-cyclopropyl-1-(2-methylpropyl)imidazo[1,2-b]pyrazole is CC(C)Cn1ccn2nc(C3CC3)c(CCl)c12.
What is the InChIKey of 7-(chloromethyl)-6-cyclopropyl-1-(2-methylpropyl)imidazo[1,2-b]pyrazole?
The InChIKey is PFLZSCDTHIZWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-9(2)8-16-5-6-17-13(16)11(7-14)12(15-17)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 7-(chloromethyl)-6-cyclopropyl-1-(2-methylpropyl)imidazo[1,2-b]pyrazole?
7-(chloromethyl)-6-cyclopropyl-1-(2-methylpropyl)imidazo[1,2-b]pyrazole has a molecular weight of 251.76 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-6-cyclopropyl-1-(2-methylpropyl)imidazo[1,2-b]pyrazole is sourced from PubChem (CID 121215247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).