6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-3-carboxamide

C15H11F3N6O2 — CID 68976019

IUPAC6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n(-c3ccc(C(N)=O)nn3)n2)cn1
InChIInChI=1S/C15H11F3N6O2/c1-26-13-5-2-8(7-20-13)10-6-11(15(16,17)18)24(23-10)12-4-3-9(14(19)25)21-22-12/h2-7H,1H3,(H2,19,25)
InChIKeyKARFRAQRSWFSCZ-UHFFFAOYSA-N
MW364.29 g/mol
LogP1.85
Rot. Bonds4

About 6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-3-carboxamide

6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-3-carboxamide (PubChem CID 68976019) has the molecular formula C15H11F3N6O2 and a molecular weight of 364.29 g/mol. Its IUPAC name is 6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-3-carboxamide
PubChem CID68976019
Molecular FormulaC15H11F3N6O2
Molecular Weight364.29 g/mol
Exact Mass364.09
IUPAC Name6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n(-c3ccc(C(N)=O)nn3)n2)cn1
InChIInChI=1S/C15H11F3N6O2/c1-26-13-5-2-8(7-20-13)10-6-11(15(16,17)18)24(23-10)12-4-3-9(14(19)25)21-22-12/h2-7H,1H3,(H2,19,25)
InChIKeyKARFRAQRSWFSCZ-UHFFFAOYSA-N
XLogP1.85
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-3-carboxamide?
The IUPAC name of 6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-3-carboxamide (CID 68976019) is 6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for 6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-3-carboxamide is COc1ccc(-c2cc(C(F)(F)F)n(-c3ccc(C(N)=O)nn3)n2)cn1.
What is the InChIKey of 6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-3-carboxamide?
The InChIKey is KARFRAQRSWFSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O2/c1-26-13-5-2-8(7-20-13)10-6-11(15(16,17)18)24(23-10)12-4-3-9(14(19)25)21-22-12/h2-7H,1H3,(H2,19,25).
What are the key properties of 6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-3-carboxamide?
6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-3-carboxamide has a molecular weight of 364.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 68976019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).