N-(2,2-difluoroethyl)-5-(difluoromethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C13H10F7N5O — CID 45254294

IUPACN-(2,2-difluoroethyl)-5-(difluoromethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESO=C(c1cnn(CC(F)(F)F)c1C(F)F)N(CC(F)F)c1ccnnc1
InChIInChI=1S/C13H10F7N5O/c14-9(15)5-24(7-1-2-21-22-3-7)12(26)8-4-23-25(6-13(18,19)20)10(8)11(16)17/h1-4,9,11H,5-6H2
InChIKeyYOXZYURBTSRNQA-UHFFFAOYSA-N
MW385.24 g/mol
LogP3.08
Rot. Bonds6

About N-(2,2-difluoroethyl)-5-(difluoromethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

N-(2,2-difluoroethyl)-5-(difluoromethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 45254294) has the molecular formula C13H10F7N5O and a molecular weight of 385.24 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-(difluoromethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-(difluoromethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID45254294
Molecular FormulaC13H10F7N5O
Molecular Weight385.24 g/mol
Exact Mass385.08
IUPAC NameN-(2,2-difluoroethyl)-5-(difluoromethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESO=C(c1cnn(CC(F)(F)F)c1C(F)F)N(CC(F)F)c1ccnnc1
InChIInChI=1S/C13H10F7N5O/c14-9(15)5-24(7-1-2-21-22-3-7)12(26)8-4-23-25(6-13(18,19)20)10(8)11(16)17/h1-4,9,11H,5-6H2
InChIKeyYOXZYURBTSRNQA-UHFFFAOYSA-N
XLogP3.08
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-(difluoromethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-5-(difluoromethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 45254294) is N-(2,2-difluoroethyl)-5-(difluoromethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-(difluoromethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-5-(difluoromethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is O=C(c1cnn(CC(F)(F)F)c1C(F)F)N(CC(F)F)c1ccnnc1.
What is the InChIKey of N-(2,2-difluoroethyl)-5-(difluoromethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is YOXZYURBTSRNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F7N5O/c14-9(15)5-24(7-1-2-21-22-3-7)12(26)8-4-23-25(6-13(18,19)20)10(8)11(16)17/h1-4,9,11H,5-6H2.
What are the key properties of N-(2,2-difluoroethyl)-5-(difluoromethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
N-(2,2-difluoroethyl)-5-(difluoromethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 385.24 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-(difluoromethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 45254294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).