6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyridazine-3-carboxamide

C19H18F3N5O2 — CID 24655009

IUPAC6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyridazine-3-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O
InChIInChI=1S/C19H18F3N5O2/c1-10-9-15(28)17(18(29)23-16-11(2)24-26(4)12(16)3)25-27(10)14-8-6-5-7-13(14)19(20,21)22/h5-9H,1-4H3,(H,23,29)
InChIKeyMNDUXCWGLRWZTQ-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.16
Rot. Bonds3

About 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyridazine-3-carboxamide

6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyridazine-3-carboxamide (PubChem CID 24655009) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyridazine-3-carboxamide
PubChem CID24655009
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC Name6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyridazine-3-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O
InChIInChI=1S/C19H18F3N5O2/c1-10-9-15(28)17(18(29)23-16-11(2)24-26(4)12(16)3)25-27(10)14-8-6-5-7-13(14)19(20,21)22/h5-9H,1-4H3,(H,23,29)
InChIKeyMNDUXCWGLRWZTQ-UHFFFAOYSA-N
XLogP3.16
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-(3-methylphenyl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 8871596
2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-3-carboxamide
CID 59808189
6-methyl-4-oxo-N-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 51239028
6-methyl-N-(5-methyl-2-pyridinyl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 25333423
N-(2-carbamoylphenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 60606233
N-(4-amino-3,5-dichlorophenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 46665346
6-methyl-N-[2-(methylamino)ethyl]-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 119499946
2-methyl-2-[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]propanoic acid
CID 119187422
N-(2-aminoethyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
CID 119382037
N-(2-hydroxypropyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 78855377
N-[4-[(2-methoxyacetyl)amino]phenyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 35335393
6-methyl-4-oxo-N-(2-propan-2-yloxyphenyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 38999285

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyridazine-3-carboxamide (CID 24655009) is 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyridazine-3-carboxamide is Cc1nn(C)c(C)c1NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O.
What is the InChIKey of 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyridazine-3-carboxamide?
The InChIKey is MNDUXCWGLRWZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c1-10-9-15(28)17(18(29)23-16-11(2)24-26(4)12(16)3)25-27(10)14-8-6-5-7-13(14)19(20,21)22/h5-9H,1-4H3,(H,23,29).
What are the key properties of 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyridazine-3-carboxamide?
6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyridazine-3-carboxamide has a molecular weight of 405.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 24655009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).