1-methyl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxamide

C14H13F3N4O2 — CID 91945715

IUPAC1-methyl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCC(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H13F3N4O2/c1-21-6-5-11(20-21)13(23)18-8-12(22)19-10-4-2-3-9(7-10)14(15,16)17/h2-7H,8H2,1H3,(H,18,23)(H,19,22)
InChIKeyHLVHOFCIRNQYSD-UHFFFAOYSA-N
MW326.28 g/mol
LogP1.81
Rot. Bonds4

About 1-methyl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxamide

1-methyl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxamide (PubChem CID 91945715) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-methyl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxamide
PubChem CID91945715
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name1-methyl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCC(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H13F3N4O2/c1-21-6-5-11(20-21)13(23)18-8-12(22)19-10-4-2-3-9(7-10)14(15,16)17/h2-7H,8H2,1H3,(H,18,23)(H,19,22)
InChIKeyHLVHOFCIRNQYSD-UHFFFAOYSA-N
XLogP1.81
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazole-3-carboxamide
CID 19563725
2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 55529533
4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 2992727
2-(4-methoxyphenyl)-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]acetamide
CID 112999418
2-[3-(trifluoromethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908675
N,N-diethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]benzamide
CID 54834141
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 91802666
6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42162095
(3S)-3-(3-methylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 92708147
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 109009780
2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54814618

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxamide (CID 91945715) is 1-methyl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxamide is Cn1ccc(C(=O)NCC(=O)Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 1-methyl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxamide?
The InChIKey is HLVHOFCIRNQYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c1-21-6-5-11(20-21)13(23)18-8-12(22)19-10-4-2-3-9(7-10)14(15,16)17/h2-7H,8H2,1H3,(H,18,23)(H,19,22).
What are the key properties of 1-methyl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxamide?
1-methyl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxamide has a molecular weight of 326.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 91945715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).