N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-methylbutan-2-amine

C14H24ClN5 — CID 106004884

IUPACN-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)CCn1c(CCl)nc2c(C)nn(C)c21
InChIInChI=1S/C14H24ClN5/c1-6-10(2)18(4)7-8-20-12(9-15)16-13-11(3)17-19(5)14(13)20/h10H,6-9H2,1-5H3
InChIKeyKVXCTIPMXYXIGK-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.55
Rot. Bonds6

About N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-methylbutan-2-amine

N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-methylbutan-2-amine (PubChem CID 106004884) has the molecular formula C14H24ClN5 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-methylbutan-2-amine
PubChem CID106004884
Molecular FormulaC14H24ClN5
Molecular Weight297.83 g/mol
Exact Mass297.17
IUPAC NameN-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)CCn1c(CCl)nc2c(C)nn(C)c21
InChIInChI=1S/C14H24ClN5/c1-6-10(2)18(4)7-8-20-12(9-15)16-13-11(3)17-19(5)14(13)20/h10H,6-9H2,1-5H3
InChIKeyKVXCTIPMXYXIGK-UHFFFAOYSA-N
XLogP2.55
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-1,3-dimethyl-6-(2-methylbutyl)imidazo[4,5-d]pyrazole
CID 79288113
5-(chloromethyl)-1,3-dimethyl-6-(3-methylpentan-2-yl)imidazo[4,5-d]pyrazole
CID 79297674
5-(chloromethyl)-6-(2-cyclopropylpropyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 113475688
2-[5-(chloromethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N-ethyl-N-methylethanamine
CID 79305099
5-(chloromethyl)-1,3-dimethyl-6-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-d]pyrazole
CID 106294984
4-[5-(chloromethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylbutan-1-amine
CID 79307730
5-(chloromethyl)-6-[2-(4-chlorophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79276825
1-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylpropan-2-amine
CID 79300638
2-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-4-methyl-1,3-thiazole
CID 79288614
5-(1-chloroethyl)-6-ethyl-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297164
5-(chloromethyl)-6-[2-(furan-2-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79296895
5-(chloromethyl)-6-(2-cyclohexyloxyethyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79275981

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-methylbutan-2-amine?
The IUPAC name of N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-methylbutan-2-amine (CID 106004884) is N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-methylbutan-2-amine.
What is the SMILES notation for N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-methylbutan-2-amine?
The canonical SMILES for N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-methylbutan-2-amine is CCC(C)N(C)CCn1c(CCl)nc2c(C)nn(C)c21.
What is the InChIKey of N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-methylbutan-2-amine?
The InChIKey is KVXCTIPMXYXIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5/c1-6-10(2)18(4)7-8-20-12(9-15)16-13-11(3)17-19(5)14(13)20/h10H,6-9H2,1-5H3.
What are the key properties of N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-methylbutan-2-amine?
N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-methylbutan-2-amine has a molecular weight of 297.83 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-N-methylbutan-2-amine is sourced from PubChem (CID 106004884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).