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

C12H10F5N5O — CID 45255883

IUPAC5-(difluoromethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(CC(F)(F)F)c1C(F)F)c1ccnnc1
InChIInChI=1S/C12H10F5N5O/c1-21(7-2-3-18-19-4-7)11(23)8-5-20-22(6-12(15,16)17)9(8)10(13)14/h2-5,10H,6H2,1H3
InChIKeyHJJAOCPPENWOOB-UHFFFAOYSA-N
MW335.24 g/mol
LogP2.45
Rot. Bonds4

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

5-(difluoromethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 45255883) has the molecular formula C12H10F5N5O and a molecular weight of 335.24 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID45255883
Molecular FormulaC12H10F5N5O
Molecular Weight335.24 g/mol
Exact Mass335.08
IUPAC Name5-(difluoromethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(CC(F)(F)F)c1C(F)F)c1ccnnc1
InChIInChI=1S/C12H10F5N5O/c1-21(7-2-3-18-19-4-7)11(23)8-5-20-22(6-12(15,16)17)9(8)10(13)14/h2-5,10H,6H2,1H3
InChIKeyHJJAOCPPENWOOB-UHFFFAOYSA-N
XLogP2.45
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 45255883) is 5-(difluoromethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is CN(C(=O)c1cnn(CC(F)(F)F)c1C(F)F)c1ccnnc1.
What is the InChIKey of 5-(difluoromethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is HJJAOCPPENWOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F5N5O/c1-21(7-2-3-18-19-4-7)11(23)8-5-20-22(6-12(15,16)17)9(8)10(13)14/h2-5,10H,6H2,1H3.
What are the key properties of 5-(difluoromethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
5-(difluoromethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 335.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 45255883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).