N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine

C14H15F4N3 — CID 115350267

IUPACN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H15F4N3/c1-8-13(9(2)21(3)20-8)19-7-10-4-11(14(16,17)18)6-12(15)5-10/h4-6,19H,7H2,1-3H3
InChIKeySRQZEPFHVFOATD-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.81
Rot. Bonds3

About N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine

N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine (PubChem CID 115350267) has the molecular formula C14H15F4N3 and a molecular weight of 301.29 g/mol. Its IUPAC name is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine
PubChem CID115350267
Molecular FormulaC14H15F4N3
Molecular Weight301.29 g/mol
Exact Mass301.12
IUPAC NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H15F4N3/c1-8-13(9(2)21(3)20-8)19-7-10-4-11(14(16,17)18)6-12(15)5-10/h4-6,19H,7H2,1-3H3
InChIKeySRQZEPFHVFOATD-UHFFFAOYSA-N
XLogP3.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664321
N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664304
N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28554082
N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664340
2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline
CID 115350292
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline
CID 115350196
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 115350611
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882472
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115282762
N-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664301
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83306725
3-bromo-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 65491585

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine (CID 115350267) is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine is Cc1nn(C)c(C)c1NCc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is SRQZEPFHVFOATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4N3/c1-8-13(9(2)21(3)20-8)19-7-10-4-11(14(16,17)18)6-12(15)5-10/h4-6,19H,7H2,1-3H3.
What are the key properties of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine?
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 301.29 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 115350267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).