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

C11H10F3N5O — CID 45255296

IUPAC5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccnnc2)cnn1CC(F)(F)F
InChIInChI=1S/C11H10F3N5O/c1-7-9(5-17-19(7)6-11(12,13)14)10(20)18-8-2-3-15-16-4-8/h2-5H,6H2,1H3,(H,15,18,20)
InChIKeyDBVABPCCAZYYFA-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.80
Rot. Bonds3

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

5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 45255296) has the molecular formula C11H10F3N5O and a molecular weight of 285.23 g/mol. Its IUPAC name is 5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID45255296
Molecular FormulaC11H10F3N5O
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC Name5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccnnc2)cnn1CC(F)(F)F
InChIInChI=1S/C11H10F3N5O/c1-7-9(5-17-19(7)6-11(12,13)14)10(20)18-8-2-3-15-16-4-8/h2-5H,6H2,1H3,(H,15,18,20)
InChIKeyDBVABPCCAZYYFA-UHFFFAOYSA-N
XLogP1.80
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Dimpropyridaz
CID 89968867
5-methyl-1-(3-methylbutan-2-yl)-N-(pyridazin-4-yl)-1H-pyrazole-4-carboxamide
CID 168450425
4-({[1-(difluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-1-methyl-1H-pyrazole-5-carboxamide
CID 4767849
4-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide
CID 4771014
1,5-dimethyl-N-{1-[(2,2,2-trifluoroethoxy)methyl]-1H-pyrazol-4-yl}-1H-pyrazole-4-carboxamide
CID 19584375
1,3-dimethyl-N-{1-[(2,2,2-trifluoroethoxy)methyl]-1H-pyrazol-4-yl}-1H-pyrazole-4-carboxamide
CID 19584423
1-methyl-N-(3-pyridinyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 1474579
1-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45255301
5-(difluoromethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 45255883
3-(difluoromethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 45255889
3-methyl-1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
CID 58270515
N-(2,2-difluoroethyl)-3-methyl-1-pyridin-3-ylpyrazole-4-carboxamide
CID 58270533

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 45255296) is 5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccnnc2)cnn1CC(F)(F)F.
What is the InChIKey of 5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is DBVABPCCAZYYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O/c1-7-9(5-17-19(7)6-11(12,13)14)10(20)18-8-2-3-15-16-4-8/h2-5H,6H2,1H3,(H,15,18,20).
What are the key properties of 5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 285.23 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 45255296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).