2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline

C17H16FN3 — CID 43230038

IUPAC2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
SMILESCc1ccc(NCc2ccc(-n3cccn3)cc2)c(F)c1
InChIInChI=1S/C17H16FN3/c1-13-3-8-17(16(18)11-13)19-12-14-4-6-15(7-5-14)21-10-2-9-20-21/h2-11,19H,12H2,1H3
InChIKeyTTWFHPNNMBYRSL-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.93
Rot. Bonds4

About 2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline

2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline (PubChem CID 43230038) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
PubChem CID43230038
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
SMILESCc1ccc(NCc2ccc(-n3cccn3)cc2)c(F)c1
InChIInChI=1S/C17H16FN3/c1-13-3-8-17(16(18)11-13)19-12-14-4-6-15(7-5-14)21-10-2-9-20-21/h2-11,19H,12H2,1H3
InChIKeyTTWFHPNNMBYRSL-UHFFFAOYSA-N
XLogP3.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 28879321
N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879315
2-bromo-5-fluoro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 107632988
N-[(3-fluoro-4-methylphenyl)methyl]-4-pyrazol-1-ylaniline
CID 63645199
N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43768777
N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-4-methylaniline
CID 66412091
1-(4-methylphenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]thiourea
CID 17283784
4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43226671
N-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 43688239
5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 63478416
4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline
CID 43229744
2-methyl-1-[(4-methylphenyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111244557

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline?
The IUPAC name of 2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline (CID 43230038) is 2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline.
What is the SMILES notation for 2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline?
The canonical SMILES for 2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline is Cc1ccc(NCc2ccc(-n3cccn3)cc2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline?
The InChIKey is TTWFHPNNMBYRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-13-3-8-17(16(18)11-13)19-12-14-4-6-15(7-5-14)21-10-2-9-20-21/h2-11,19H,12H2,1H3.
What are the key properties of 2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline?
2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline has a molecular weight of 281.33 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline is sourced from PubChem (CID 43230038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).