3-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline

C17H16FN3 — CID 62770833

IUPAC3-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline
SMILESFc1cccc(NCCn2cc(-c3ccccc3)cn2)c1
InChIInChI=1S/C17H16FN3/c18-16-7-4-8-17(11-16)19-9-10-21-13-15(12-20-21)14-5-2-1-3-6-14/h1-8,11-13,19H,9-10H2
InChIKeyXYBBKLGRJLQAJT-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.80
Rot. Bonds5

About 3-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline

3-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline (PubChem CID 62770833) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline
PubChem CID62770833
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name3-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline
SMILESFc1cccc(NCCn2cc(-c3ccccc3)cn2)c1
InChIInChI=1S/C17H16FN3/c18-16-7-4-8-17(11-16)19-9-10-21-13-15(12-20-21)14-5-2-1-3-6-14/h1-8,11-13,19H,9-10H2
InChIKeyXYBBKLGRJLQAJT-UHFFFAOYSA-N
XLogP3.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline
CID 62771007
N-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine
CID 62771315
3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline
CID 62564168
1-(2-fluoroethyl)-4-phenylpyrazole
CID 23381768
2,6-difluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 119102967
N-[2-(4-phenylpyrazol-1-yl)ethyl]formamide
CID 118524294
2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
CID 121020133
2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide
CID 121020143
1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide
CID 106060565
N-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfanylaniline
CID 114278990
10-(4-phenylpyrazol-1-yl)decan-1-amine
CID 150162722
1-[2-(4-bromopyrazol-1-yl)ethyl]-3-(3-fluorophenyl)urea
CID 39854977

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline?
The IUPAC name of 3-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline (CID 62770833) is 3-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline.
What is the SMILES notation for 3-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline?
The canonical SMILES for 3-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline is Fc1cccc(NCCn2cc(-c3ccccc3)cn2)c1.
What is the InChIKey of 3-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline?
The InChIKey is XYBBKLGRJLQAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c18-16-7-4-8-17(11-16)19-9-10-21-13-15(12-20-21)14-5-2-1-3-6-14/h1-8,11-13,19H,9-10H2.
What are the key properties of 3-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline?
3-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline has a molecular weight of 281.33 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline is sourced from PubChem (CID 62770833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).