2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-1-carboxamide

C14H11F3N6O — CID 173142910

IUPAC2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-1-carboxamide
SMILESNC(=O)N1C=CC=CN1n1nc(-c2cccnc2)cc1C(F)(F)F
InChIInChI=1S/C14H11F3N6O/c15-14(16,17)12-8-11(10-4-3-5-19-9-10)20-23(12)22-7-2-1-6-21(22)13(18)24/h1-9H,(H2,18,24)
InChIKeyWACGSHFHBYMKNR-UHFFFAOYSA-N
MW336.28 g/mol
LogP2.24
Rot. Bonds2

About 2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-1-carboxamide

2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-1-carboxamide (PubChem CID 173142910) has the molecular formula C14H11F3N6O and a molecular weight of 336.28 g/mol. Its IUPAC name is 2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-1-carboxamide.

Molecular Properties

Compound Name2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-1-carboxamide
PubChem CID173142910
Molecular FormulaC14H11F3N6O
Molecular Weight336.28 g/mol
Exact Mass336.09
IUPAC Name2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-1-carboxamide
SMILESNC(=O)N1C=CC=CN1n1nc(-c2cccnc2)cc1C(F)(F)F
InChIInChI=1S/C14H11F3N6O/c15-14(16,17)12-8-11(10-4-3-5-19-9-10)20-23(12)22-7-2-1-6-21(22)13(18)24/h1-9H,(H2,18,24)
InChIKeyWACGSHFHBYMKNR-UHFFFAOYSA-N
XLogP2.24
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-1-carboxamide?
The IUPAC name of 2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-1-carboxamide (CID 173142910) is 2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-1-carboxamide.
What is the SMILES notation for 2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-1-carboxamide?
The canonical SMILES for 2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-1-carboxamide is NC(=O)N1C=CC=CN1n1nc(-c2cccnc2)cc1C(F)(F)F.
What is the InChIKey of 2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-1-carboxamide?
The InChIKey is WACGSHFHBYMKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6O/c15-14(16,17)12-8-11(10-4-3-5-19-9-10)20-23(12)22-7-2-1-6-21(22)13(18)24/h1-9H,(H2,18,24).
What are the key properties of 2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-1-carboxamide?
2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-1-carboxamide has a molecular weight of 336.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-1-carboxamide is sourced from PubChem (CID 173142910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).