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

C22H16F3N5O2 — CID 46412484

IUPAC6-methyl-4-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C22H16F3N5O2/c1-13-11-19(31)20(29-30(13)18-8-3-2-7-16(18)22(23,24)25)21(32)27-15-6-4-5-14(12-15)17-9-10-26-28-17/h2-12H,1H3,(H,26,28)(H,27,32)
InChIKeyCNLNKPMIWQVFHG-UHFFFAOYSA-N
MW439.40 g/mol
LogP4.20
Rot. Bonds4

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

6-methyl-4-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 46412484) has the molecular formula C22H16F3N5O2 and a molecular weight of 439.40 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID46412484
Molecular FormulaC22H16F3N5O2
Molecular Weight439.40 g/mol
Exact Mass439.13
IUPAC Name6-methyl-4-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C22H16F3N5O2/c1-13-11-19(31)20(29-30(13)18-8-3-2-7-16(18)22(23,24)25)21(32)27-15-6-4-5-14(12-15)17-9-10-26-28-17/h2-12H,1H3,(H,26,28)(H,27,32)
InChIKeyCNLNKPMIWQVFHG-UHFFFAOYSA-N
XLogP4.20
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.40
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(3-methylphenyl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 8871596
6-methyl-4-oxo-N-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 51239028
6-methyl-4-oxo-N-[3-(2-pyridin-2-ylethynyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 46554274
N-(4-amino-3,5-dichlorophenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 46665346
6-methyl-4-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 34067638
6-methyl-4-oxo-N-(2-propan-2-yloxyphenyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 38999285
N-[4-[(2-methoxyacetyl)amino]phenyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 35335393
2-methyl-2-[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]propanoic acid
CID 119187422
6-methyl-4-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 46803536
N-(6-methoxy-3-pyridinyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 40708409
6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyridazine-3-carboxamide
CID 24655009
N-(2-aminoethyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
CID 119382037

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 46412484) is 6-methyl-4-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2cccc(-c3ccn[nH]3)c2)nn1-c1ccccc1C(F)(F)F.
What is the InChIKey of 6-methyl-4-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is CNLNKPMIWQVFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2/c1-13-11-19(31)20(29-30(13)18-8-3-2-7-16(18)22(23,24)25)21(32)27-15-6-4-5-14(12-15)17-9-10-26-28-17/h2-12H,1H3,(H,26,28)(H,27,32).
What are the key properties of 6-methyl-4-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-methyl-4-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 439.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 46412484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).