N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C14H13F4N3O — CID 34486049

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1ccc(CNC(=O)Cn2ccc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C14H13F4N3O/c1-9-2-3-10(6-11(9)15)7-19-13(22)8-21-5-4-12(20-21)14(16,17)18/h2-6H,7-8H2,1H3,(H,19,22)
InChIKeyCEFMOKYWVBWHAF-UHFFFAOYSA-N
MW315.27 g/mol
LogP2.67
Rot. Bonds4

About N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 34486049) has the molecular formula C14H13F4N3O and a molecular weight of 315.27 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID34486049
Molecular FormulaC14H13F4N3O
Molecular Weight315.27 g/mol
Exact Mass315.10
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1ccc(CNC(=O)Cn2ccc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C14H13F4N3O/c1-9-2-3-10(6-11(9)15)7-19-13(22)8-21-5-4-12(20-21)14(16,17)18/h2-6H,7-8H2,1H3,(H,19,22)
InChIKeyCEFMOKYWVBWHAF-UHFFFAOYSA-N
XLogP2.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 37425808
N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530800
ethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
CID 60812044
N-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 113466073
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530835
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530879
2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 116641755
N-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 102914804
N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
CID 43388450
3-methyl-2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]butanoic acid
CID 65220362
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
CID 35804088
1-[(4-methoxyphenyl)methyl]-3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiourea
CID 9478874

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 34486049) is N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1ccc(CNC(=O)Cn2ccc(C(F)(F)F)n2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is CEFMOKYWVBWHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3O/c1-9-2-3-10(6-11(9)15)7-19-13(22)8-21-5-4-12(20-21)14(16,17)18/h2-6H,7-8H2,1H3,(H,19,22).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 315.27 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 34486049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).