N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine

C15H22BrN5 — CID 105182928

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)nnc1CC)c1c(Br)cnn1CC
InChIInChI=1S/C15H22BrN5/c1-5-13-11(8-10(4)19-20-13)14(17-6-2)15-12(16)9-18-21(15)7-3/h8-9,14,17H,5-7H2,1-4H3
InChIKeySODMWMQXQQVIAR-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.03
Rot. Bonds6

About N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine

N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine (PubChem CID 105182928) has the molecular formula C15H22BrN5 and a molecular weight of 352.28 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
PubChem CID105182928
Molecular FormulaC15H22BrN5
Molecular Weight352.28 g/mol
Exact Mass351.11
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)nnc1CC)c1c(Br)cnn1CC
InChIInChI=1S/C15H22BrN5/c1-5-13-11(8-10(4)19-20-13)14(17-6-2)15-12(16)9-18-21(15)7-3/h8-9,14,17H,5-7H2,1-4H3
InChIKeySODMWMQXQQVIAR-UHFFFAOYSA-N
XLogP3.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4-bromo-1-methylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]hydrazine
CID 105342273
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2-fluorophenyl)methyl]ethanamine
CID 114650671
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 114651112
N-[(1-ethylimidazol-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 104672104
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105127736
N-[(4-bromo-1-propylpyrazol-5-yl)-(2-methylphenyl)methyl]ethanamine
CID 114647689
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105182980
N-[(3-ethyl-6-methylpyridazin-4-yl)-(4-ethylphenyl)methyl]ethanamine
CID 105121574
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methyl]ethanamine
CID 114657958
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 105040135
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methyl]ethanamine
CID 103216273
N-[(4-bromo-1-propylpyrazol-5-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 114886433

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine (CID 105182928) is N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine is CCNC(c1cc(C)nnc1CC)c1c(Br)cnn1CC.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine?
The InChIKey is SODMWMQXQQVIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN5/c1-5-13-11(8-10(4)19-20-13)14(17-6-2)15-12(16)9-18-21(15)7-3/h8-9,14,17H,5-7H2,1-4H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine?
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine has a molecular weight of 352.28 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine is sourced from PubChem (CID 105182928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).