N-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline

C17H16FN3 — CID 103947437

IUPACN-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
SMILESCc1ccc(F)cc1CNc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C17H16FN3/c1-12-5-6-15(18)9-14(12)11-19-16-4-2-3-13(10-16)17-7-8-20-21-17/h2-10,19H,11H2,1H3,(H,20,21)
InChIKeyUEGXQMBNPQRGFL-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.14
Rot. Bonds4

About N-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline

N-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline (PubChem CID 103947437) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
PubChem CID103947437
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
SMILESCc1ccc(F)cc1CNc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C17H16FN3/c1-12-5-6-15(18)9-14(12)11-19-16-4-2-3-13(10-16)17-7-8-20-21-17/h2-10,19H,11H2,1H3,(H,20,21)
InChIKeyUEGXQMBNPQRGFL-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-[(2,5-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745314
N-[(4-fluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62121809
N-[(5-fluoro-2-methylphenyl)methyl]-3-(1,3-thiazol-2-yl)aniline
CID 103944201
N-[(3-chloro-2-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 115750287
N-[(4-bromo-2-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745387
N-pentyl-3-(1H-pyrazol-5-yl)aniline
CID 43745298
N-[(2-bromophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745385
N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine
CID 107445250
4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 39330217
N-[(4-methylsulfanylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745309
N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745380
N-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62747530

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline (CID 103947437) is N-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline is Cc1ccc(F)cc1CNc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is UEGXQMBNPQRGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-12-5-6-15(18)9-14(12)11-19-16-4-2-3-13(10-16)17-7-8-20-21-17/h2-10,19H,11H2,1H3,(H,20,21).
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline?
N-[(5-fluoro-2-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-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 103947437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).