N-[(4-fluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline

C17H16FN3 — CID 62121809

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
SMILESCc1cc(CNc2cccc(-c3ccn[nH]3)c2)ccc1F
InChIInChI=1S/C17H16FN3/c1-12-9-13(5-6-16(12)18)11-19-15-4-2-3-14(10-15)17-7-8-20-21-17/h2-10,19H,11H2,1H3,(H,20,21)
InChIKeyHBRINXWLJCQTOU-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.14
Rot. Bonds4

About N-[(4-fluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline

N-[(4-fluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline (PubChem CID 62121809) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
PubChem CID62121809
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
SMILESCc1cc(CNc2cccc(-c3ccn[nH]3)c2)ccc1F
InChIInChI=1S/C17H16FN3/c1-12-9-13(5-6-16(12)18)11-19-15-4-2-3-14(10-15)17-7-8-20-21-17/h2-10,19H,11H2,1H3,(H,20,21)
InChIKeyHBRINXWLJCQTOU-UHFFFAOYSA-N
XLogP4.14
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylsulfanylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745309
N-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 103947437
N-[(2,5-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745314
N-[(4-bromo-2-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745387
N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745380
N-pentyl-3-(1H-pyrazol-5-yl)aniline
CID 43745298
N-[(5-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 81313287
N-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62747530
N-[(3-chloro-2-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 115750287
N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine
CID 107445250
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
N-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62346092

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline (CID 62121809) is N-[(4-fluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline is Cc1cc(CNc2cccc(-c3ccn[nH]3)c2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is HBRINXWLJCQTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-12-9-13(5-6-16(12)18)11-19-15-4-2-3-14(10-15)17-7-8-20-21-17/h2-10,19H,11H2,1H3,(H,20,21).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline?
N-[(4-fluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline has a molecular weight of 281.33 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 62121809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).