6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-amine

C18H18F3N5O — CID 133362551

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-amine
SMILESCc1cc(C)n(-c2ccc(N(C)Cc3cccc(OC(F)(F)F)c3)nn2)n1
InChIInChI=1S/C18H18F3N5O/c1-12-9-13(2)26(24-12)17-8-7-16(22-23-17)25(3)11-14-5-4-6-15(10-14)27-18(19,20)21/h4-10H,11H2,1-3H3
InChIKeyFNZKMYUNZDMCMX-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.81
Rot. Bonds5

About 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-amine

6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-amine (PubChem CID 133362551) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-amine
PubChem CID133362551
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-amine
SMILESCc1cc(C)n(-c2ccc(N(C)Cc3cccc(OC(F)(F)F)c3)nn2)n1
InChIInChI=1S/C18H18F3N5O/c1-12-9-13(2)26(24-12)17-8-7-16(22-23-17)25(3)11-14-5-4-6-15(10-14)27-18(19,20)21/h4-10H,11H2,1-3H3
InChIKeyFNZKMYUNZDMCMX-UHFFFAOYSA-N
XLogP3.81
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-amine (CID 133362551) is 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-amine is Cc1cc(C)n(-c2ccc(N(C)Cc3cccc(OC(F)(F)F)c3)nn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-amine?
The InChIKey is FNZKMYUNZDMCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O/c1-12-9-13(2)26(24-12)17-8-7-16(22-23-17)25(3)11-14-5-4-6-15(10-14)27-18(19,20)21/h4-10H,11H2,1-3H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-amine has a molecular weight of 377.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-amine is sourced from PubChem (CID 133362551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).