7-(chloromethyl)-6-cyclobutyl-1-ethylimidazo[1,2-b]pyrazole

C12H16ClN3 — CID 121215281

IUPAC7-(chloromethyl)-6-cyclobutyl-1-ethylimidazo[1,2-b]pyrazole
SMILESCCn1ccn2nc(C3CCC3)c(CCl)c12
InChIInChI=1S/C12H16ClN3/c1-2-15-6-7-16-12(15)10(8-13)11(14-16)9-4-3-5-9/h6-7,9H,2-5,8H2,1H3
InChIKeyXGTHCMTYOHYAQM-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.16
Rot. Bonds3

About 7-(chloromethyl)-6-cyclobutyl-1-ethylimidazo[1,2-b]pyrazole

7-(chloromethyl)-6-cyclobutyl-1-ethylimidazo[1,2-b]pyrazole (PubChem CID 121215281) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 7-(chloromethyl)-6-cyclobutyl-1-ethylimidazo[1,2-b]pyrazole.

Molecular Properties

Compound Name7-(chloromethyl)-6-cyclobutyl-1-ethylimidazo[1,2-b]pyrazole
PubChem CID121215281
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name7-(chloromethyl)-6-cyclobutyl-1-ethylimidazo[1,2-b]pyrazole
SMILESCCn1ccn2nc(C3CCC3)c(CCl)c12
InChIInChI=1S/C12H16ClN3/c1-2-15-6-7-16-12(15)10(8-13)11(14-16)9-4-3-5-9/h6-7,9H,2-5,8H2,1H3
InChIKeyXGTHCMTYOHYAQM-UHFFFAOYSA-N
XLogP3.16
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-(chloromethyl)-6-cyclopropyl-1-(2-methylpropyl)imidazo[1,2-b]pyrazole
CID 121215247
7-(chloromethyl)-1-ethyl-6-methylimidazo[2,1-e]pyrazole
CID 121215190
(6-cyclopropyl-1-prop-2-ynylimidazo[1,2-b]pyrazol-7-yl)methanol
CID 121215242
5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole
CID 113390064
(2-cyclobutylpyrazolo[1,5-a]pyrimidin-3-yl)methanethiol
CID 82272076
5-cyclobutyl-4-ethyl-2-methylpyrazol-3-amine
CID 43670778
(5-cyclopropyl-3-ethylimidazol-4-yl)methanol
CID 172593125
methyl 5-cyclobutyl-3-ethylimidazole-4-carboxylate
CID 172593208
1-butyl-5-chloro-4-(chloromethyl)-3-cyclopropylpyrazole
CID 63353947
1-butan-2-yl-5-chloro-4-(chloromethyl)-3-cyclopropylpyrazole
CID 63353989
2-(3-chlorocyclohexyl)-1-ethylimidazole
CID 64515914
5-chloro-4-(chloromethyl)-1-cycloheptyl-3-cyclopropylpyrazole
CID 63353946

Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-6-cyclobutyl-1-ethylimidazo[1,2-b]pyrazole?
The IUPAC name of 7-(chloromethyl)-6-cyclobutyl-1-ethylimidazo[1,2-b]pyrazole (CID 121215281) is 7-(chloromethyl)-6-cyclobutyl-1-ethylimidazo[1,2-b]pyrazole.
What is the SMILES notation for 7-(chloromethyl)-6-cyclobutyl-1-ethylimidazo[1,2-b]pyrazole?
The canonical SMILES for 7-(chloromethyl)-6-cyclobutyl-1-ethylimidazo[1,2-b]pyrazole is CCn1ccn2nc(C3CCC3)c(CCl)c12.
What is the InChIKey of 7-(chloromethyl)-6-cyclobutyl-1-ethylimidazo[1,2-b]pyrazole?
The InChIKey is XGTHCMTYOHYAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-2-15-6-7-16-12(15)10(8-13)11(14-16)9-4-3-5-9/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 7-(chloromethyl)-6-cyclobutyl-1-ethylimidazo[1,2-b]pyrazole?
7-(chloromethyl)-6-cyclobutyl-1-ethylimidazo[1,2-b]pyrazole has a molecular weight of 237.73 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-6-cyclobutyl-1-ethylimidazo[1,2-b]pyrazole is sourced from PubChem (CID 121215281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).