4-amino-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-3-carboxamide

C9H7F3N6O — CID 107346541

IUPAC4-amino-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(C(F)(F)F)nn2)cc1N
InChIInChI=1S/C9H7F3N6O/c10-9(11,12)5-1-2-6(16-15-5)18-3-4(13)7(17-18)8(14)19/h1-3H,13H2,(H2,14,19)
InChIKeyCAFXXUOJIDDJOA-UHFFFAOYSA-N
MW272.19 g/mol
LogP0.36
Rot. Bonds2

About 4-amino-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-3-carboxamide

4-amino-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-3-carboxamide (PubChem CID 107346541) has the molecular formula C9H7F3N6O and a molecular weight of 272.19 g/mol. Its IUPAC name is 4-amino-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-3-carboxamide
PubChem CID107346541
Molecular FormulaC9H7F3N6O
Molecular Weight272.19 g/mol
Exact Mass272.06
IUPAC Name4-amino-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(C(F)(F)F)nn2)cc1N
InChIInChI=1S/C9H7F3N6O/c10-9(11,12)5-1-2-6(16-15-5)18-3-4(13)7(17-18)8(14)19/h1-3H,13H2,(H2,14,19)
InChIKeyCAFXXUOJIDDJOA-UHFFFAOYSA-N
XLogP0.36
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-3-carboxamide (CID 107346541) is 4-amino-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-3-carboxamide is NC(=O)c1nn(-c2ccc(C(F)(F)F)nn2)cc1N.
What is the InChIKey of 4-amino-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-3-carboxamide?
The InChIKey is CAFXXUOJIDDJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N6O/c10-9(11,12)5-1-2-6(16-15-5)18-3-4(13)7(17-18)8(14)19/h1-3H,13H2,(H2,14,19).
What are the key properties of 4-amino-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-3-carboxamide?
4-amino-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-3-carboxamide has a molecular weight of 272.19 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 107346541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).