N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine

C15H18F3N3 — CID 79570845

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCc1c(CNC(C)c2cccc(C(F)(F)F)c2)cnn1C
InChIInChI=1S/C15H18F3N3/c1-10(19-8-13-9-20-21(3)11(13)2)12-5-4-6-14(7-12)15(16,17)18/h4-7,9-10,19H,8H2,1-3H3
InChIKeyAHYIBAAXECMRJN-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.60
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 79570845) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID79570845
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCc1c(CNC(C)c2cccc(C(F)(F)F)c2)cnn1C
InChIInChI=1S/C15H18F3N3/c1-10(19-8-13-9-20-21(3)11(13)2)12-5-4-6-14(7-12)15(16,17)18/h4-7,9-10,19H,8H2,1-3H3
InChIKeyAHYIBAAXECMRJN-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 81372486
1-[3-(difluoromethoxy)phenyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 79570391
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43723810
N-[(3-methyl-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 114698972
2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
CID 43723801
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 79569729
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 79579433
[(1,5-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301348
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 115896749
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19326759
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 79579138
(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398244

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 79570845) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine is Cc1c(CNC(C)c2cccc(C(F)(F)F)c2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is AHYIBAAXECMRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-10(19-8-13-9-20-21(3)11(13)2)12-5-4-6-14(7-12)15(16,17)18/h4-7,9-10,19H,8H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 297.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 79570845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).