N-(furan-2-ylmethyl)-1-methyl-4-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide

C18H15F3N4O2 — CID 4862771

IUPACN-(furan-2-ylmethyl)-1-methyl-4-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide
SMILESCn1ncc(/N=C/c2ccccc2C(F)(F)F)c1C(=O)NCc1ccco1
InChIInChI=1S/C18H15F3N4O2/c1-25-16(17(26)23-10-13-6-4-8-27-13)15(11-24-25)22-9-12-5-2-3-7-14(12)18(19,20)21/h2-9,11H,10H2,1H3,(H,23,26)/b22-9+
InChIKeyNTKIHEIMQJQNTE-LSFURLLWSA-N
MW376.34 g/mol
LogP3.71
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-methyl-4-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide

N-(furan-2-ylmethyl)-1-methyl-4-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide (PubChem CID 4862771) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-methyl-4-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-methyl-4-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide
PubChem CID4862771
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC NameN-(furan-2-ylmethyl)-1-methyl-4-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide
SMILESCn1ncc(/N=C/c2ccccc2C(F)(F)F)c1C(=O)NCc1ccco1
InChIInChI=1S/C18H15F3N4O2/c1-25-16(17(26)23-10-13-6-4-8-27-13)15(11-24-25)22-9-12-5-2-3-7-14(12)18(19,20)21/h2-9,11H,10H2,1H3,(H,23,26)/b22-9+
InChIKeyNTKIHEIMQJQNTE-LSFURLLWSA-N
XLogP3.71
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
CID 4862901
5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623698
N-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19398092
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate
CID 19398212
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398172
4-bromo-N-(furan-2-ylmethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268242
4-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 98222387
N-(furan-2-ylmethyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 8867854
4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398223
4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398057
N-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19398075
4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500316

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-methyl-4-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-methyl-4-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide (CID 4862771) is N-(furan-2-ylmethyl)-1-methyl-4-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-methyl-4-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-methyl-4-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide is Cn1ncc(/N=C/c2ccccc2C(F)(F)F)c1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-methyl-4-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide?
The InChIKey is NTKIHEIMQJQNTE-LSFURLLWSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-25-16(17(26)23-10-13-6-4-8-27-13)15(11-24-25)22-9-12-5-2-3-7-14(12)18(19,20)21/h2-9,11H,10H2,1H3,(H,23,26)/b22-9+.
What are the key properties of N-(furan-2-ylmethyl)-1-methyl-4-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide?
N-(furan-2-ylmethyl)-1-methyl-4-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-methyl-4-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide is sourced from PubChem (CID 4862771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).