7-(chloromethyl)-1-ethyl-6-methylimidazo[2,1-e]pyrazole

C9H12ClN3 — CID 121215190

IUPAC7-(chloromethyl)-1-ethyl-6-methylimidazo[2,1-e]pyrazole
SMILESCCn1ccn2nc(C)c(CCl)c12
InChIInChI=1S/C9H12ClN3/c1-3-12-4-5-13-9(12)8(6-10)7(2)11-13/h4-5H,3,6H2,1-2H3
InChIKeyWNLWATUUVRTPAL-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.20
Rot. Bonds2

About 7-(chloromethyl)-1-ethyl-6-methylimidazo[2,1-e]pyrazole

7-(chloromethyl)-1-ethyl-6-methylimidazo[2,1-e]pyrazole (PubChem CID 121215190) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 7-(chloromethyl)-1-ethyl-6-methylimidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name7-(chloromethyl)-1-ethyl-6-methylimidazo[2,1-e]pyrazole
PubChem CID121215190
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name7-(chloromethyl)-1-ethyl-6-methylimidazo[2,1-e]pyrazole
SMILESCCn1ccn2nc(C)c(CCl)c12
InChIInChI=1S/C9H12ClN3/c1-3-12-4-5-13-9(12)8(6-10)7(2)11-13/h4-5H,3,6H2,1-2H3
InChIKeyWNLWATUUVRTPAL-UHFFFAOYSA-N
XLogP2.20
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.20
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-cyclobutyl-1-ethylimidazo[1,2-b]pyrazole
CID 121215281
(1,6-dimethylimidazo[2,1-e]pyrazol-7-yl)methanamine
CID 121215196
(1,6-dimethylimidazo[2,1-e]pyrazol-7-yl)methanol
CID 121215181
4-(chloromethyl)-1-ethyl-3,5-dimethylpyrazole
CID 43648133
7-(chloromethyl)-6-cyclopropyl-1-(2-methylpropyl)imidazo[1,2-b]pyrazole
CID 121215247
1-ethyl-6-methylimidazo[1,2-b]pyrazole
CID 121214767
7-(azidomethyl)-1-(cyclopropylmethyl)-6-methylimidazo[2,1-e]pyrazole
CID 121215206
[1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 62736781
4-(chloromethyl)-5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazole
CID 61034646
3-ethyl-5-methylimidazol-4-amine
CID 62075163
1-(2-chloroethyl)-3-ethylimidazol-2-one
CID 80580275
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione
CID 63800345

Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-1-ethyl-6-methylimidazo[2,1-e]pyrazole?
The IUPAC name of 7-(chloromethyl)-1-ethyl-6-methylimidazo[2,1-e]pyrazole (CID 121215190) is 7-(chloromethyl)-1-ethyl-6-methylimidazo[2,1-e]pyrazole.
What is the SMILES notation for 7-(chloromethyl)-1-ethyl-6-methylimidazo[2,1-e]pyrazole?
The canonical SMILES for 7-(chloromethyl)-1-ethyl-6-methylimidazo[2,1-e]pyrazole is CCn1ccn2nc(C)c(CCl)c12.
What is the InChIKey of 7-(chloromethyl)-1-ethyl-6-methylimidazo[2,1-e]pyrazole?
The InChIKey is WNLWATUUVRTPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-3-12-4-5-13-9(12)8(6-10)7(2)11-13/h4-5H,3,6H2,1-2H3.
What are the key properties of 7-(chloromethyl)-1-ethyl-6-methylimidazo[2,1-e]pyrazole?
7-(chloromethyl)-1-ethyl-6-methylimidazo[2,1-e]pyrazole has a molecular weight of 197.67 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-1-ethyl-6-methylimidazo[2,1-e]pyrazole is sourced from PubChem (CID 121215190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).