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

C13H14F3N5O2 — CID 45256077

IUPAC5-(ethoxymethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCCOCc1c(C(=O)Nc2ccnnc2)cnn1CC(F)(F)F
InChIInChI=1S/C13H14F3N5O2/c1-2-23-7-11-10(6-19-21(11)8-13(14,15)16)12(22)20-9-3-4-17-18-5-9/h3-6H,2,7-8H2,1H3,(H,17,20,22)
InChIKeyRIIYKCXFBGQDDU-UHFFFAOYSA-N
MW329.28 g/mol
LogP2.02
Rot. Bonds6

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

5-(ethoxymethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 45256077) has the molecular formula C13H14F3N5O2 and a molecular weight of 329.28 g/mol. Its IUPAC name is 5-(ethoxymethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(ethoxymethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID45256077
Molecular FormulaC13H14F3N5O2
Molecular Weight329.28 g/mol
Exact Mass329.11
IUPAC Name5-(ethoxymethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCCOCc1c(C(=O)Nc2ccnnc2)cnn1CC(F)(F)F
InChIInChI=1S/C13H14F3N5O2/c1-2-23-7-11-10(6-19-21(11)8-13(14,15)16)12(22)20-9-3-4-17-18-5-9/h3-6H,2,7-8H2,1H3,(H,17,20,22)
InChIKeyRIIYKCXFBGQDDU-UHFFFAOYSA-N
XLogP2.02
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-(ethoxymethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 45256077) is 5-(ethoxymethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-(ethoxymethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-(ethoxymethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is CCOCc1c(C(=O)Nc2ccnnc2)cnn1CC(F)(F)F.
What is the InChIKey of 5-(ethoxymethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is RIIYKCXFBGQDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O2/c1-2-23-7-11-10(6-19-21(11)8-13(14,15)16)12(22)20-9-3-4-17-18-5-9/h3-6H,2,7-8H2,1H3,(H,17,20,22).
What are the key properties of 5-(ethoxymethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
5-(ethoxymethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 329.28 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 45256077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).