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

C13H12F5N5O — CID 45254295

IUPACN-(2,2-difluoroethyl)-5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(CC(F)F)c2ccnnc2)cnn1CC(F)(F)F
InChIInChI=1S/C13H12F5N5O/c1-8-10(5-21-23(8)7-13(16,17)18)12(24)22(6-11(14)15)9-2-3-19-20-4-9/h2-5,11H,6-7H2,1H3
InChIKeyKJRNCERUZJSUOV-UHFFFAOYSA-N
MW349.26 g/mol
LogP2.46
Rot. Bonds5

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

N-(2,2-difluoroethyl)-5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 45254295) has the molecular formula C13H12F5N5O and a molecular weight of 349.26 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID45254295
Molecular FormulaC13H12F5N5O
Molecular Weight349.26 g/mol
Exact Mass349.10
IUPAC NameN-(2,2-difluoroethyl)-5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(CC(F)F)c2ccnnc2)cnn1CC(F)(F)F
InChIInChI=1S/C13H12F5N5O/c1-8-10(5-21-23(8)7-13(16,17)18)12(24)22(6-11(14)15)9-2-3-19-20-4-9/h2-5,11H,6-7H2,1H3
InChIKeyKJRNCERUZJSUOV-UHFFFAOYSA-N
XLogP2.46
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 52.46
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-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 45254295) is N-(2,2-difluoroethyl)-5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is Cc1c(C(=O)N(CC(F)F)c2ccnnc2)cnn1CC(F)(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is KJRNCERUZJSUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F5N5O/c1-8-10(5-21-23(8)7-13(16,17)18)12(24)22(6-11(14)15)9-2-3-19-20-4-9/h2-5,11H,6-7H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
N-(2,2-difluoroethyl)-5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 349.26 g/mol, XLogP of 2.46, 5 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-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 45254295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).