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

C13H14F3N5O2 — CID 45256628

IUPAC5-(methoxymethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)N(C)c2ccnnc2)cnn1CC(F)(F)F
InChIInChI=1S/C13H14F3N5O2/c1-20(9-3-4-17-18-5-9)12(22)10-6-19-21(8-13(14,15)16)11(10)7-23-2/h3-6H,7-8H2,1-2H3
InChIKeyPORGSJVBVFBOSU-UHFFFAOYSA-N
MW329.28 g/mol
LogP1.66
Rot. Bonds5

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

5-(methoxymethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 45256628) has the molecular formula C13H14F3N5O2 and a molecular weight of 329.28 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID45256628
Molecular FormulaC13H14F3N5O2
Molecular Weight329.28 g/mol
Exact Mass329.11
IUPAC Name5-(methoxymethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)N(C)c2ccnnc2)cnn1CC(F)(F)F
InChIInChI=1S/C13H14F3N5O2/c1-20(9-3-4-17-18-5-9)12(22)10-6-19-21(8-13(14,15)16)11(10)7-23-2/h3-6H,7-8H2,1-2H3
InChIKeyPORGSJVBVFBOSU-UHFFFAOYSA-N
XLogP1.66
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 45256628) is 5-(methoxymethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is COCc1c(C(=O)N(C)c2ccnnc2)cnn1CC(F)(F)F.
What is the InChIKey of 5-(methoxymethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is PORGSJVBVFBOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O2/c1-20(9-3-4-17-18-5-9)12(22)10-6-19-21(8-13(14,15)16)11(10)7-23-2/h3-6H,7-8H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
5-(methoxymethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 329.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 45256628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).