4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)-N-[5-(trifluoromethyl)pyridazin-3-yl]benzamide

C21H15F3N6O — CID 164531339

IUPAC4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)-N-[5-(trifluoromethyl)pyridazin-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cc(C(F)(F)F)cnn2)cc1-n1cc(-c2cccnc2)cn1
InChIInChI=1S/C21H15F3N6O/c1-13-4-5-14(20(31)28-19-8-17(11-26-29-19)21(22,23)24)7-18(13)30-12-16(10-27-30)15-3-2-6-25-9-15/h2-12H,1H3,(H,28,29,31)
InChIKeyDDXWZILFSOFRKF-UHFFFAOYSA-N
MW424.39 g/mol
LogP4.30
Rot. Bonds4

About 4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)-N-[5-(trifluoromethyl)pyridazin-3-yl]benzamide

4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)-N-[5-(trifluoromethyl)pyridazin-3-yl]benzamide (PubChem CID 164531339) has the molecular formula C21H15F3N6O and a molecular weight of 424.39 g/mol. Its IUPAC name is 4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)-N-[5-(trifluoromethyl)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)-N-[5-(trifluoromethyl)pyridazin-3-yl]benzamide
PubChem CID164531339
Molecular FormulaC21H15F3N6O
Molecular Weight424.39 g/mol
Exact Mass424.13
IUPAC Name4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)-N-[5-(trifluoromethyl)pyridazin-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cc(C(F)(F)F)cnn2)cc1-n1cc(-c2cccnc2)cn1
InChIInChI=1S/C21H15F3N6O/c1-13-4-5-14(20(31)28-19-8-17(11-26-29-19)21(22,23)24)7-18(13)30-12-16(10-27-30)15-3-2-6-25-9-15/h2-12H,1H3,(H,28,29,31)
InChIKeyDDXWZILFSOFRKF-UHFFFAOYSA-N
XLogP4.30
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-(4-pyridin-3-yltriazol-1-yl)-N-[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 58366546
N-[3-[4-(6-amino-3-pyridinyl)pyrazol-1-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 165113852
4-methyl-3-[4-(5-pyrrolidin-1-yl-3-pyridinyl)triazol-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 53465169
3-[4-[5-(cyclopropylmethyl)-3-pyridinyl]triazol-1-yl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 158599584
N-[3-[4-[4-(4-hydroxybutoxy)-3-pyridinyl]pyrazol-1-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 154688821
N-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyridin-3-yltriazol-1-yl)benzamide
CID 58367007
1-[5-[[3-(methanesulfonamido)-2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazole-4-carboxylic acid
CID 69056210
N-[4-methyl-3-[4-[4-(1-methylsulfonylazetidin-3-yl)oxy-3-pyridinyl]pyrazol-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 154688681
N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 154688798
3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 70790724
4-methyl-N-[2-methyl-6-(4-methylimidazol-1-yl)-4-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 164898147
4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11385486

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)-N-[5-(trifluoromethyl)pyridazin-3-yl]benzamide?
The IUPAC name of 4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)-N-[5-(trifluoromethyl)pyridazin-3-yl]benzamide (CID 164531339) is 4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)-N-[5-(trifluoromethyl)pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)-N-[5-(trifluoromethyl)pyridazin-3-yl]benzamide?
The canonical SMILES for 4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)-N-[5-(trifluoromethyl)pyridazin-3-yl]benzamide is Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cnn2)cc1-n1cc(-c2cccnc2)cn1.
What is the InChIKey of 4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)-N-[5-(trifluoromethyl)pyridazin-3-yl]benzamide?
The InChIKey is DDXWZILFSOFRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N6O/c1-13-4-5-14(20(31)28-19-8-17(11-26-29-19)21(22,23)24)7-18(13)30-12-16(10-27-30)15-3-2-6-25-9-15/h2-12H,1H3,(H,28,29,31).
What are the key properties of 4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)-N-[5-(trifluoromethyl)pyridazin-3-yl]benzamide?
4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)-N-[5-(trifluoromethyl)pyridazin-3-yl]benzamide has a molecular weight of 424.39 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)-N-[5-(trifluoromethyl)pyridazin-3-yl]benzamide is sourced from PubChem (CID 164531339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).