N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridazin-3-amine

C16H14F3N5 — CID 133432667

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCc1nn(-c2ccccc2)c(C)c1Nc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C16H14F3N5/c1-10-15(11(2)24(23-10)12-6-4-3-5-7-12)20-14-9-8-13(21-22-14)16(17,18)19/h3-9H,1-2H3,(H,20,22)
InChIKeyNMLLPSXTWMSKFK-UHFFFAOYSA-N
MW333.32 g/mol
LogP4.04
Rot. Bonds3

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridazin-3-amine

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 133432667) has the molecular formula C16H14F3N5 and a molecular weight of 333.32 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID133432667
Molecular FormulaC16H14F3N5
Molecular Weight333.32 g/mol
Exact Mass333.12
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCc1nn(-c2ccccc2)c(C)c1Nc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C16H14F3N5/c1-10-15(11(2)24(23-10)12-6-4-3-5-7-12)20-14-9-8-13(21-22-14)16(17,18)19/h3-9H,1-2H3,(H,20,22)
InChIKeyNMLLPSXTWMSKFK-UHFFFAOYSA-N
XLogP4.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 972247
1-tert-butyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)urea
CID 78834613
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide
CID 51275491
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 88773612
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 71942657
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide
CID 99165832
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 51284216
N-[1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoroethyl]methanesulfonamide
CID 71976649
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-methyl-3-nitrobenzamide
CID 51275512
(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
CID 130535844
4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium
CID 176877441
2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1-trifluoropropan-2-ol
CID 4287677

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridazin-3-amine (CID 133432667) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridazin-3-amine is Cc1nn(-c2ccccc2)c(C)c1Nc1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is NMLLPSXTWMSKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5/c1-10-15(11(2)24(23-10)12-6-4-3-5-7-12)20-14-9-8-13(21-22-14)16(17,18)19/h3-9H,1-2H3,(H,20,22).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridazin-3-amine?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 333.32 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 133432667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).