N-(furan-3-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C14H10F3N5O3 — CID 47034504

IUPACN-(furan-3-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCc1ccoc1)c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F
InChIInChI=1S/C14H10F3N5O3/c15-14(16,17)12-9(13(24)18-5-8-3-4-25-7-8)6-19-22(12)10-1-2-11(23)21-20-10/h1-4,6-7H,5H2,(H,18,24)(H,21,23)
InChIKeyWRSYGEYXHOXLHI-UHFFFAOYSA-N
MW353.26 g/mol
LogP1.50
Rot. Bonds4

About N-(furan-3-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(furan-3-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 47034504) has the molecular formula C14H10F3N5O3 and a molecular weight of 353.26 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID47034504
Molecular FormulaC14H10F3N5O3
Molecular Weight353.26 g/mol
Exact Mass353.07
IUPAC NameN-(furan-3-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCc1ccoc1)c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F
InChIInChI=1S/C14H10F3N5O3/c15-14(16,17)12-9(13(24)18-5-8-3-4-25-7-8)6-19-22(12)10-1-2-11(23)21-20-10/h1-4,6-7H,5H2,(H,18,24)(H,21,23)
InChIKeyWRSYGEYXHOXLHI-UHFFFAOYSA-N
XLogP1.50
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 167942369
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
N-benzyl-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31687955
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 87446352
N-[[4-(ethoxymethyl)phenyl]methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 37357760
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
N-benzyl-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25470234
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55858499
5-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 47043704
N-[(3-bromo-5-fluorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55907787

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(furan-3-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 47034504) is N-(furan-3-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(furan-3-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NCc1ccoc1)c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F.
What is the InChIKey of N-(furan-3-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is WRSYGEYXHOXLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O3/c15-14(16,17)12-9(13(24)18-5-8-3-4-25-7-8)6-19-22(12)10-1-2-11(23)21-20-10/h1-4,6-7H,5H2,(H,18,24)(H,21,23).
What are the key properties of N-(furan-3-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(furan-3-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 353.26 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 47034504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).