5-(1-chloroethyl)-6-(2-chlorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole

C15H16Cl2N4 — CID 79284050

IUPAC5-(1-chloroethyl)-6-(2-chlorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole
SMILESCCn1nc(C)c2nc(C(C)Cl)n(-c3ccccc3Cl)c21
InChIInChI=1S/C15H16Cl2N4/c1-4-20-15-13(10(3)19-20)18-14(9(2)16)21(15)12-8-6-5-7-11(12)17/h5-9H,4H2,1-3H3
InChIKeyLCXYCSLIGGJWRG-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.50
Rot. Bonds3

About 5-(1-chloroethyl)-6-(2-chlorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole

5-(1-chloroethyl)-6-(2-chlorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole (PubChem CID 79284050) has the molecular formula C15H16Cl2N4 and a molecular weight of 323.23 g/mol. Its IUPAC name is 5-(1-chloroethyl)-6-(2-chlorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(1-chloroethyl)-6-(2-chlorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole
PubChem CID79284050
Molecular FormulaC15H16Cl2N4
Molecular Weight323.23 g/mol
Exact Mass322.08
IUPAC Name5-(1-chloroethyl)-6-(2-chlorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole
SMILESCCn1nc(C)c2nc(C(C)Cl)n(-c3ccccc3Cl)c21
InChIInChI=1S/C15H16Cl2N4/c1-4-20-15-13(10(3)19-20)18-14(9(2)16)21(15)12-8-6-5-7-11(12)17/h5-9H,4H2,1-3H3
InChIKeyLCXYCSLIGGJWRG-UHFFFAOYSA-N
XLogP4.50
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(1-chloroethyl)-1-ethyl-6-(4-iodophenyl)-3-methylimidazo[4,5-d]pyrazole
CID 79283661
4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole
CID 104837537
5-(1-chloroethyl)-1-ethyl-3-methyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazole
CID 79308337
5-(1-chloroethyl)-1-ethyl-3-methyl-6-(4-methylpentyl)imidazo[4,5-d]pyrazole
CID 79307632
2-[5-(1-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylethanamine
CID 79284812
5-(1-chloroethyl)-6-(2,3-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79276824
5-(chloromethyl)-6-(2-chloro-5-methylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole
CID 107637912
6-(2-bromophenyl)-5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole
CID 79283918
1-ethyl-6-(2-methoxyphenyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305612
5-(1-chloroethyl)-1-ethyl-3-methyl-6-(1-methylcyclohexyl)imidazo[4,5-d]pyrazole
CID 79285130
1-ethyl-3-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine
CID 79283615
6-[(4-bromothiophen-2-yl)methyl]-5-(1-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole
CID 79286368

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-6-(2-chlorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole?
The IUPAC name of 5-(1-chloroethyl)-6-(2-chlorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole (CID 79284050) is 5-(1-chloroethyl)-6-(2-chlorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(1-chloroethyl)-6-(2-chlorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(1-chloroethyl)-6-(2-chlorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole is CCn1nc(C)c2nc(C(C)Cl)n(-c3ccccc3Cl)c21.
What is the InChIKey of 5-(1-chloroethyl)-6-(2-chlorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole?
The InChIKey is LCXYCSLIGGJWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4/c1-4-20-15-13(10(3)19-20)18-14(9(2)16)21(15)12-8-6-5-7-11(12)17/h5-9H,4H2,1-3H3.
What are the key properties of 5-(1-chloroethyl)-6-(2-chlorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole?
5-(1-chloroethyl)-6-(2-chlorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole has a molecular weight of 323.23 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-6-(2-chlorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole is sourced from PubChem (CID 79284050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).