4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline

C17H14F3N3 — CID 78885226

IUPAC4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
SMILESFC(F)(F)c1ccccc1CNc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H14F3N3/c18-17(19,20)16-5-2-1-4-13(16)12-21-14-6-8-15(9-7-14)23-11-3-10-22-23/h1-11,21H,12H2
InChIKeyPTCMQJFNNUGVIO-UHFFFAOYSA-N
MW317.31 g/mol
LogP4.50
Rot. Bonds4

About 4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline

4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 78885226) has the molecular formula C17H14F3N3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID78885226
Molecular FormulaC17H14F3N3
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
SMILESFC(F)(F)c1ccccc1CNc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H14F3N3/c18-17(19,20)16-5-2-1-4-13(16)12-21-14-6-8-15(9-7-14)23-11-3-10-22-23/h1-11,21H,12H2
InChIKeyPTCMQJFNNUGVIO-UHFFFAOYSA-N
XLogP4.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 115743032
N-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline
CID 62134405
N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 66412112
N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 61167306
N-methyl-4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047405
4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43226671
2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 62880800
N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 43688256
N-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 43688239
N-[(3-fluoro-4-methylphenyl)methyl]-4-pyrazol-1-ylaniline
CID 63645199
N-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine
CID 4726734
1-prop-2-enyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 106570549

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline (CID 78885226) is 4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline is FC(F)(F)c1ccccc1CNc1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is PTCMQJFNNUGVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3/c18-17(19,20)16-5-2-1-4-13(16)12-21-14-6-8-15(9-7-14)23-11-3-10-22-23/h1-11,21H,12H2.
What are the key properties of 4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 317.31 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 78885226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).