N-[2-(4-chlorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyridazin-3-amine

C18H20ClN5O — CID 112812658

IUPACN-[2-(4-chlorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyridazin-3-amine
SMILESCc1cc(C)n(-c2ccc(N(C)CCOc3ccc(Cl)cc3)nn2)n1
InChIInChI=1S/C18H20ClN5O/c1-13-12-14(2)24(22-13)18-9-8-17(20-21-18)23(3)10-11-25-16-6-4-15(19)5-7-16/h4-9,12H,10-11H2,1-3H3
InChIKeyKQMLZHZHDOGUNA-UHFFFAOYSA-N
MW357.85 g/mol
LogP3.45
Rot. Bonds6

About N-[2-(4-chlorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyridazin-3-amine

N-[2-(4-chlorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyridazin-3-amine (PubChem CID 112812658) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyridazin-3-amine
PubChem CID112812658
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyridazin-3-amine
SMILESCc1cc(C)n(-c2ccc(N(C)CCOc3ccc(Cl)cc3)nn2)n1
InChIInChI=1S/C18H20ClN5O/c1-13-12-14(2)24(22-13)18-9-8-17(20-21-18)23(3)10-11-25-16-6-4-15(19)5-7-16/h4-9,12H,10-11H2,1-3H3
InChIKeyKQMLZHZHDOGUNA-UHFFFAOYSA-N
XLogP3.45
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid
CID 122059582
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-amine
CID 133463471
N-[2-(4-bromophenoxy)ethyl]-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-methylacetamide
CID 16603056
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-amine
CID 133362551
4-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305395
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]acetamide
CID 112818295
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-naphthalen-2-yloxyethyl)pyridine-2-carboxamide
CID 112800686
2-(4-chlorophenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562039
1-[2-(4-chlorophenoxy)ethyl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,2-dimethylguanidine;hydroiodide
CID 111308087
N'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide
CID 2511372
N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine
CID 5261961
N-[2-(3-chlorophenoxy)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
CID 17460797

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyridazin-3-amine?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyridazin-3-amine (CID 112812658) is N-[2-(4-chlorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyridazin-3-amine.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyridazin-3-amine?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyridazin-3-amine is Cc1cc(C)n(-c2ccc(N(C)CCOc3ccc(Cl)cc3)nn2)n1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyridazin-3-amine?
The InChIKey is KQMLZHZHDOGUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-13-12-14(2)24(22-13)18-9-8-17(20-21-18)23(3)10-11-25-16-6-4-15(19)5-7-16/h4-9,12H,10-11H2,1-3H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyridazin-3-amine?
N-[2-(4-chlorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyridazin-3-amine has a molecular weight of 357.85 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyridazin-3-amine is sourced from PubChem (CID 112812658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).