N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide

C18H15F3N4O3 — CID 55871867

IUPACN-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)n(C)n1
InChIInChI=1S/C18H15F3N4O3/c1-10-8-14(25(2)24-10)16(26)23-13-6-5-11(9-12(13)18(19,20)21)22-17(27)15-4-3-7-28-15/h3-9H,1-2H3,(H,22,27)(H,23,26)
InChIKeyILHNYTXANXGMGQ-UHFFFAOYSA-N
MW392.34 g/mol
LogP3.84
Rot. Bonds4

About N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide

N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 55871867) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID55871867
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC NameN-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)n(C)n1
InChIInChI=1S/C18H15F3N4O3/c1-10-8-14(25(2)24-10)16(26)23-13-6-5-11(9-12(13)18(19,20)21)22-17(27)15-4-3-7-28-15/h3-9H,1-2H3,(H,22,27)(H,23,26)
InChIKeyILHNYTXANXGMGQ-UHFFFAOYSA-N
XLogP3.84
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55573943
N-[4-[(2-chlorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 43041357
N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 55501032
5-(2-chlorophenyl)-N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062355
N-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86938042
N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 112822144
N-[4-[[(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 43038197
N-[4-[[2-(4-bromophenyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062040
N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 8919733
N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55500727
N-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 46698388
N-[4-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062195

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide (CID 55871867) is N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)n(C)n1.
What is the InChIKey of N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is ILHNYTXANXGMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3/c1-10-8-14(25(2)24-10)16(26)23-13-6-5-11(9-12(13)18(19,20)21)22-17(27)15-4-3-7-28-15/h3-9H,1-2H3,(H,22,27)(H,23,26).
What are the key properties of N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 392.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 55871867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).