N-[1-(2,2,2-trifluoroethyl)cyclopropyl]pyrazolo[1,5-b]pyridazine-3-carboxamide

C12H11F3N4O — CID 154842072

IUPACN-[1-(2,2,2-trifluoroethyl)cyclopropyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
SMILESO=C(NC1(CC(F)(F)F)CC1)c1cnn2ncccc12
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)7-11(3-4-11)18-10(20)8-6-17-19-9(8)2-1-5-16-19/h1-2,5-6H,3-4,7H2,(H,18,20)
InChIKeyLIMQNOWFFPVHLZ-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.94
Rot. Bonds3

About N-[1-(2,2,2-trifluoroethyl)cyclopropyl]pyrazolo[1,5-b]pyridazine-3-carboxamide

N-[1-(2,2,2-trifluoroethyl)cyclopropyl]pyrazolo[1,5-b]pyridazine-3-carboxamide (PubChem CID 154842072) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)cyclopropyl]pyrazolo[1,5-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)cyclopropyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
PubChem CID154842072
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC NameN-[1-(2,2,2-trifluoroethyl)cyclopropyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
SMILESO=C(NC1(CC(F)(F)F)CC1)c1cnn2ncccc12
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)7-11(3-4-11)18-10(20)8-6-17-19-9(8)2-1-5-16-19/h1-2,5-6H,3-4,7H2,(H,18,20)
InChIKeyLIMQNOWFFPVHLZ-UHFFFAOYSA-N
XLogP1.94
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)cyclopropyl]pyrazolo[1,5-b]pyridazine-3-carboxamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)cyclopropyl]pyrazolo[1,5-b]pyridazine-3-carboxamide (CID 154842072) is N-[1-(2,2,2-trifluoroethyl)cyclopropyl]pyrazolo[1,5-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)cyclopropyl]pyrazolo[1,5-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)cyclopropyl]pyrazolo[1,5-b]pyridazine-3-carboxamide is O=C(NC1(CC(F)(F)F)CC1)c1cnn2ncccc12.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)cyclopropyl]pyrazolo[1,5-b]pyridazine-3-carboxamide?
The InChIKey is LIMQNOWFFPVHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c13-12(14,15)7-11(3-4-11)18-10(20)8-6-17-19-9(8)2-1-5-16-19/h1-2,5-6H,3-4,7H2,(H,18,20).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)cyclopropyl]pyrazolo[1,5-b]pyridazine-3-carboxamide?
N-[1-(2,2,2-trifluoroethyl)cyclopropyl]pyrazolo[1,5-b]pyridazine-3-carboxamide has a molecular weight of 284.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)cyclopropyl]pyrazolo[1,5-b]pyridazine-3-carboxamide is sourced from PubChem (CID 154842072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).