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

C21H15F3N6O2 — CID 30887043

IUPAC6-methyl-4-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccnc2-n2cccn2)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C21H15F3N6O2/c1-13-12-17(31)18(28-30(13)16-8-3-2-6-14(16)21(22,23)24)20(32)27-15-7-4-9-25-19(15)29-11-5-10-26-29/h2-12H,1H3,(H,27,32)
InChIKeyUMSCPYBZMCGBRB-UHFFFAOYSA-N
MW440.39 g/mol
LogP3.39
Rot. Bonds4

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

6-methyl-4-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 30887043) has the molecular formula C21H15F3N6O2 and a molecular weight of 440.39 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID30887043
Molecular FormulaC21H15F3N6O2
Molecular Weight440.39 g/mol
Exact Mass440.12
IUPAC Name6-methyl-4-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccnc2-n2cccn2)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C21H15F3N6O2/c1-13-12-17(31)18(28-30(13)16-8-3-2-6-14(16)21(22,23)24)20(32)27-15-7-4-9-25-19(15)29-11-5-10-26-29/h2-12H,1H3,(H,27,32)
InChIKeyUMSCPYBZMCGBRB-UHFFFAOYSA-N
XLogP3.39
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 30887043) is 6-methyl-4-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2cccnc2-n2cccn2)nn1-c1ccccc1C(F)(F)F.
What is the InChIKey of 6-methyl-4-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is UMSCPYBZMCGBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N6O2/c1-13-12-17(31)18(28-30(13)16-8-3-2-6-14(16)21(22,23)24)20(32)27-15-7-4-9-25-19(15)29-11-5-10-26-29/h2-12H,1H3,(H,27,32).
What are the key properties of 6-methyl-4-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-methyl-4-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 440.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 30887043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).