N-[[5-ethyl-3-[3-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methyl]acetamide

C15H17F3N4O — CID 145090390

IUPACN-[[5-ethyl-3-[3-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methyl]acetamide
SMILESCCc1[nH]nc(Nc2cccc(C(F)(F)F)c2)c1CNC(C)=O
InChIInChI=1S/C15H17F3N4O/c1-3-13-12(8-19-9(2)23)14(22-21-13)20-11-6-4-5-10(7-11)15(16,17)18/h4-7H,3,8H2,1-2H3,(H,19,23)(H2,20,21,22)
InChIKeyJDPQZCFFWMUZHC-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.37
Rot. Bonds5

About N-[[5-ethyl-3-[3-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methyl]acetamide

N-[[5-ethyl-3-[3-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methyl]acetamide (PubChem CID 145090390) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is N-[[5-ethyl-3-[3-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-ethyl-3-[3-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methyl]acetamide
PubChem CID145090390
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC NameN-[[5-ethyl-3-[3-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methyl]acetamide
SMILESCCc1[nH]nc(Nc2cccc(C(F)(F)F)c2)c1CNC(C)=O
InChIInChI=1S/C15H17F3N4O/c1-3-13-12(8-19-9(2)23)14(22-21-13)20-11-6-4-5-10(7-11)15(16,17)18/h4-7H,3,8H2,1-2H3,(H,19,23)(H2,20,21,22)
InChIKeyJDPQZCFFWMUZHC-UHFFFAOYSA-N
XLogP3.37
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-[3-(trifluoromethyl)anilino]-1H-pyridazin-6-one
CID 54766055
N-[[5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 31978592
2-ethyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 142875759
[2-(ethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2365493
N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034847
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553
N-ethyl-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 78796215
4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22544122
N-[4-[[5-chloro-4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 164619885
N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571798
2-ethyl-3-[3-(trifluoromethyl)anilino]but-2-enoic acid
CID 69353363

Frequently Asked Questions

What is the IUPAC name of N-[[5-ethyl-3-[3-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[5-ethyl-3-[3-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methyl]acetamide (CID 145090390) is N-[[5-ethyl-3-[3-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-ethyl-3-[3-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[5-ethyl-3-[3-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methyl]acetamide is CCc1[nH]nc(Nc2cccc(C(F)(F)F)c2)c1CNC(C)=O.
What is the InChIKey of N-[[5-ethyl-3-[3-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methyl]acetamide?
The InChIKey is JDPQZCFFWMUZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-3-13-12(8-19-9(2)23)14(22-21-13)20-11-6-4-5-10(7-11)15(16,17)18/h4-7H,3,8H2,1-2H3,(H,19,23)(H2,20,21,22).
What are the key properties of N-[[5-ethyl-3-[3-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methyl]acetamide?
N-[[5-ethyl-3-[3-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methyl]acetamide has a molecular weight of 326.32 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-ethyl-3-[3-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methyl]acetamide is sourced from PubChem (CID 145090390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).