N-[2-(dimethylamino)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C13H15F3N6O2 — CID 167942369

IUPACN-[2-(dimethylamino)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN(C)CCNC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F
InChIInChI=1S/C13H15F3N6O2/c1-21(2)6-5-17-12(24)8-7-18-22(11(8)13(14,15)16)9-3-4-10(23)20-19-9/h3-4,7H,5-6H2,1-2H3,(H,17,24)(H,20,23)
InChIKeyLKTYTFZKOZNQKD-UHFFFAOYSA-N
MW344.30 g/mol
LogP0.27
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[2-(dimethylamino)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 167942369) has the molecular formula C13H15F3N6O2 and a molecular weight of 344.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID167942369
Molecular FormulaC13H15F3N6O2
Molecular Weight344.30 g/mol
Exact Mass344.12
IUPAC NameN-[2-(dimethylamino)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN(C)CCNC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F
InChIInChI=1S/C13H15F3N6O2/c1-21(2)6-5-17-12(24)8-7-18-22(11(8)13(14,15)16)9-3-4-10(23)20-19-9/h3-4,7H,5-6H2,1-2H3,(H,17,24)(H,20,23)
InChIKeyLKTYTFZKOZNQKD-UHFFFAOYSA-N
XLogP0.27
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-3-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 47034504
N-(2,3-dimethylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 35553361
N-(3-acetylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 35558049
1-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813879
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56578128
N-ethyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 25331750
5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 43049857
1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 36701571
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55858499
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 122135515
N-[[1-(dimethylamino)cycloheptyl]methyl]-5-ethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 25354223
1-(6-methoxypyridazin-3-yl)-N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55555860

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 167942369) is N-[2-(dimethylamino)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is CN(C)CCNC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is LKTYTFZKOZNQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6O2/c1-21(2)6-5-17-12(24)8-7-18-22(11(8)13(14,15)16)9-3-4-10(23)20-19-9/h3-4,7H,5-6H2,1-2H3,(H,17,24)(H,20,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 344.30 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 167942369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).