N-(2,3-dimethylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C17H14F3N5O2 — CID 35553361

IUPACN-(2,3-dimethylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C(F)(F)F)c1C
InChIInChI=1S/C17H14F3N5O2/c1-9-4-3-5-12(10(9)2)22-16(27)11-8-21-25(15(11)17(18,19)20)13-6-7-14(26)24-23-13/h3-8H,1-2H3,(H,22,27)(H,24,26)
InChIKeyNQNAVHVRNGVVRR-UHFFFAOYSA-N
MW377.33 g/mol
LogP2.84
Rot. Bonds3

About N-(2,3-dimethylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(2,3-dimethylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 35553361) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID35553361
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC NameN-(2,3-dimethylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C(F)(F)F)c1C
InChIInChI=1S/C17H14F3N5O2/c1-9-4-3-5-12(10(9)2)22-16(27)11-8-21-25(15(11)17(18,19)20)13-6-7-14(26)24-23-13/h3-8H,1-2H3,(H,22,27)(H,24,26)
InChIKeyNQNAVHVRNGVVRR-UHFFFAOYSA-N
XLogP2.84
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 35558049
N-[3-(dimethylcarbamoylamino)-2-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 167868860
N-[2-(dimethylamino)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 167942369
N-(5-fluoro-2-methylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 86919857
5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide
CID 146085815
5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylsulfanylphenyl)pyrazole-4-carboxamide
CID 167968258
N-[2-(methoxymethyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 47036083
N-(furan-3-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 47034504
N-(2,4-dichlorophenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 24671988
N-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46530877
4-chloro-N-(2,3-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267839
N-[3-(dimethylcarbamoylamino)-4-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 146090293

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 35553361) is N-(2,3-dimethylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1cccc(NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C(F)(F)F)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is NQNAVHVRNGVVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c1-9-4-3-5-12(10(9)2)22-16(27)11-8-21-25(15(11)17(18,19)20)13-6-7-14(26)24-23-13/h3-8H,1-2H3,(H,22,27)(H,24,26).
What are the key properties of N-(2,3-dimethylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(2,3-dimethylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 377.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 35553361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).