5-(1-chloroethyl)-1-ethyl-3-methyl-6-(4-methylpentyl)imidazo[4,5-d]pyrazole

C15H25ClN4 — CID 79307632

IUPAC5-(1-chloroethyl)-1-ethyl-3-methyl-6-(4-methylpentyl)imidazo[4,5-d]pyrazole
SMILESCCn1nc(C)c2nc(C(C)Cl)n(CCCC(C)C)c21
InChIInChI=1S/C15H25ClN4/c1-6-20-15-13(12(5)18-20)17-14(11(4)16)19(15)9-7-8-10(2)3/h10-11H,6-9H2,1-5H3
InChIKeyWNYMJHRZWPGTIB-UHFFFAOYSA-N
MW296.85 g/mol
LogP4.30
Rot. Bonds6

About 5-(1-chloroethyl)-1-ethyl-3-methyl-6-(4-methylpentyl)imidazo[4,5-d]pyrazole

5-(1-chloroethyl)-1-ethyl-3-methyl-6-(4-methylpentyl)imidazo[4,5-d]pyrazole (PubChem CID 79307632) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is 5-(1-chloroethyl)-1-ethyl-3-methyl-6-(4-methylpentyl)imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(1-chloroethyl)-1-ethyl-3-methyl-6-(4-methylpentyl)imidazo[4,5-d]pyrazole
PubChem CID79307632
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name5-(1-chloroethyl)-1-ethyl-3-methyl-6-(4-methylpentyl)imidazo[4,5-d]pyrazole
SMILESCCn1nc(C)c2nc(C(C)Cl)n(CCCC(C)C)c21
InChIInChI=1S/C15H25ClN4/c1-6-20-15-13(12(5)18-20)17-14(11(4)16)19(15)9-7-8-10(2)3/h10-11H,6-9H2,1-5H3
InChIKeyWNYMJHRZWPGTIB-UHFFFAOYSA-N
XLogP4.30
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(1-chloroethyl)-1-ethyl-3-methyl-6-(4-methylpentyl)imidazo[4,5-d]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(1-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-diethylethanamine
CID 79284812
4-[2-[5-(1-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]ethyl]-1,3-thiazole
CID 79286278
5-(1-chloroethyl)-6-ethyl-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297164
5-(1-chloroethyl)-1-ethyl-3-methyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazole
CID 79308337
5-(1-chloroethyl)-3-ethyl-1-methyl-6-(5-methylhexyl)imidazo[4,5-d]pyrazole
CID 115326650
6-[(4-bromothiophen-2-yl)methyl]-5-(1-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole
CID 79286368
5-(1-chloroethyl)-6-(1,4-dioxan-2-ylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole
CID 79282972
5-(1-chloroethyl)-1-ethyl-3-methyl-6-(1-methylpyrrolidin-3-yl)imidazo[4,5-d]pyrazole
CID 79307930
4-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]butanamide
CID 79297320
5-(1-chloroethyl)-1,3-dimethyl-6-(4-propan-2-yloxybutyl)imidazo[4,5-d]pyrazole
CID 106005079
ethyl 4-[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]butanoate
CID 79276861
5-(1-chloroethyl)-6-(2-ethoxyethyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297389

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-1-ethyl-3-methyl-6-(4-methylpentyl)imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(1-chloroethyl)-1-ethyl-3-methyl-6-(4-methylpentyl)imidazo[4,5-d]pyrazole (CID 79307632) is 5-(1-chloroethyl)-1-ethyl-3-methyl-6-(4-methylpentyl)imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(1-chloroethyl)-1-ethyl-3-methyl-6-(4-methylpentyl)imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(1-chloroethyl)-1-ethyl-3-methyl-6-(4-methylpentyl)imidazo[4,5-d]pyrazole is CCn1nc(C)c2nc(C(C)Cl)n(CCCC(C)C)c21.
What is the InChIKey of 5-(1-chloroethyl)-1-ethyl-3-methyl-6-(4-methylpentyl)imidazo[4,5-d]pyrazole?
The InChIKey is WNYMJHRZWPGTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-6-20-15-13(12(5)18-20)17-14(11(4)16)19(15)9-7-8-10(2)3/h10-11H,6-9H2,1-5H3.
What are the key properties of 5-(1-chloroethyl)-1-ethyl-3-methyl-6-(4-methylpentyl)imidazo[4,5-d]pyrazole?
5-(1-chloroethyl)-1-ethyl-3-methyl-6-(4-methylpentyl)imidazo[4,5-d]pyrazole has a molecular weight of 296.85 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-1-ethyl-3-methyl-6-(4-methylpentyl)imidazo[4,5-d]pyrazole is sourced from PubChem (CID 79307632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).