N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]acetamide

C19H18ClF3N6O — CID 112818295

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]acetamide
SMILESCc1cc(C)n(-c2ccc(N(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)nn2)n1
InChIInChI=1S/C19H18ClF3N6O/c1-11-8-12(2)29(27-11)17-7-6-16(25-26-17)28(3)10-18(30)24-13-4-5-15(20)14(9-13)19(21,22)23/h4-9H,10H2,1-3H3,(H,24,30)
InChIKeyNDIMOZDODFVTCD-UHFFFAOYSA-N
MW438.84 g/mol
LogP4.03
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]acetamide (PubChem CID 112818295) has the molecular formula C19H18ClF3N6O and a molecular weight of 438.84 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]acetamide
PubChem CID112818295
Molecular FormulaC19H18ClF3N6O
Molecular Weight438.84 g/mol
Exact Mass438.12
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]acetamide
SMILESCc1cc(C)n(-c2ccc(N(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)nn2)n1
InChIInChI=1S/C19H18ClF3N6O/c1-11-8-12(2)29(27-11)17-7-6-16(25-26-17)28(3)10-18(30)24-13-4-5-15(20)14(9-13)19(21,22)23/h4-9H,10H2,1-3H3,(H,24,30)
InChIKeyNDIMOZDODFVTCD-UHFFFAOYSA-N
XLogP4.03
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.84
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244398
6-(3,5-dimethylpyrazol-1-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 71791814
(3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92708113
3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid
CID 122059582
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyanomethyl(methyl)amino]acetamide
CID 38353746
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
2-[(2-amino-2-methylpropyl)-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 120847415
2-acetamido-N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]acetamide
CID 60559581
(2R)-N-carbamoyl-2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide
CID 38349898
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide
CID 71910064
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(3,5-dimethylphenyl)propanediamide
CID 108953737
2-[acetyl(butyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 113158787

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]acetamide (CID 112818295) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]acetamide is Cc1cc(C)n(-c2ccc(N(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)nn2)n1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]acetamide?
The InChIKey is NDIMOZDODFVTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N6O/c1-11-8-12(2)29(27-11)17-7-6-16(25-26-17)28(3)10-18(30)24-13-4-5-15(20)14(9-13)19(21,22)23/h4-9H,10H2,1-3H3,(H,24,30).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]acetamide has a molecular weight of 438.84 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]acetamide is sourced from PubChem (CID 112818295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).