5-methyl-N-(2-methyl-3H-pyridazin-6-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C12H14F3N5O — CID 123355261

IUPAC5-methyl-N-(2-methyl-3H-pyridazin-6-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2=NN(C)CC=C2)cnn1CC(F)(F)F
InChIInChI=1S/C12H14F3N5O/c1-8-9(6-16-20(8)7-12(13,14)15)11(21)17-10-4-3-5-19(2)18-10/h3-4,6H,5,7H2,1-2H3,(H,17,18,21)
InChIKeyCDODHEMXLPNULJ-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.30
Rot. Bonds2

About 5-methyl-N-(2-methyl-3H-pyridazin-6-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

5-methyl-N-(2-methyl-3H-pyridazin-6-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 123355261) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-3H-pyridazin-6-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-3H-pyridazin-6-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID123355261
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC Name5-methyl-N-(2-methyl-3H-pyridazin-6-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2=NN(C)CC=C2)cnn1CC(F)(F)F
InChIInChI=1S/C12H14F3N5O/c1-8-9(6-16-20(8)7-12(13,14)15)11(21)17-10-4-3-5-19(2)18-10/h3-4,6H,5,7H2,1-2H3,(H,17,18,21)
InChIKeyCDODHEMXLPNULJ-UHFFFAOYSA-N
XLogP1.30
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-3H-pyridazin-6-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2-methyl-3H-pyridazin-6-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 123355261) is 5-methyl-N-(2-methyl-3H-pyridazin-6-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-3H-pyridazin-6-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methyl-3H-pyridazin-6-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is Cc1c(C(=O)NC2=NN(C)CC=C2)cnn1CC(F)(F)F.
What is the InChIKey of 5-methyl-N-(2-methyl-3H-pyridazin-6-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is CDODHEMXLPNULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c1-8-9(6-16-20(8)7-12(13,14)15)11(21)17-10-4-3-5-19(2)18-10/h3-4,6H,5,7H2,1-2H3,(H,17,18,21).
What are the key properties of 5-methyl-N-(2-methyl-3H-pyridazin-6-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
5-methyl-N-(2-methyl-3H-pyridazin-6-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 301.27 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-3H-pyridazin-6-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 123355261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).