1-ethyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C11H10F3N5O — CID 45255302

IUPAC1-ethyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2ccnnc2)c1C(F)(F)F
InChIInChI=1S/C11H10F3N5O/c1-2-19-9(11(12,13)14)8(6-17-19)10(20)18-7-3-4-15-16-5-7/h3-6H,2H2,1H3,(H,15,18,20)
InChIKeyWUWPTSKODKWMPN-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.96
Rot. Bonds3

About 1-ethyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

1-ethyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 45255302) has the molecular formula C11H10F3N5O and a molecular weight of 285.23 g/mol. Its IUPAC name is 1-ethyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID45255302
Molecular FormulaC11H10F3N5O
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC Name1-ethyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2ccnnc2)c1C(F)(F)F
InChIInChI=1S/C11H10F3N5O/c1-2-19-9(11(12,13)14)8(6-17-19)10(20)18-7-3-4-15-16-5-7/h3-6H,2H2,1H3,(H,15,18,20)
InChIKeyWUWPTSKODKWMPN-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
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-dimethylpyrazol-4-yl)-N-{1-[(2,2,2-trifluoroethoxy)methyl]pyrazol-4-yl}ca rboxamide
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
5-Methyl-1-(2,2,2-trifluoro-ethyl)-1H-pyrazole-4-carboxylic acid pyridazin-4-ylamide
CID 45255296
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 45255302) is 1-ethyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is CCn1ncc(C(=O)Nc2ccnnc2)c1C(F)(F)F.
What is the InChIKey of 1-ethyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is WUWPTSKODKWMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O/c1-2-19-9(11(12,13)14)8(6-17-19)10(20)18-7-3-4-15-16-5-7/h3-6H,2H2,1H3,(H,15,18,20).
What are the key properties of 1-ethyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-ethyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 285.23 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 45255302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).