[5-fluoro-2-(4-phenylpyrazol-1-yl)phenyl]methanamine

C16H14FN3 — CID 62771688

IUPAC[5-fluoro-2-(4-phenylpyrazol-1-yl)phenyl]methanamine
SMILESNCc1cc(F)ccc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C16H14FN3/c17-15-6-7-16(13(8-15)9-18)20-11-14(10-19-20)12-4-2-1-3-5-12/h1-8,10-11H,9,18H2
InChIKeyOQAVAYHLANEUCJ-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.14
Rot. Bonds3

About [5-fluoro-2-(4-phenylpyrazol-1-yl)phenyl]methanamine

[5-fluoro-2-(4-phenylpyrazol-1-yl)phenyl]methanamine (PubChem CID 62771688) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is [5-fluoro-2-(4-phenylpyrazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(4-phenylpyrazol-1-yl)phenyl]methanamine
PubChem CID62771688
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name[5-fluoro-2-(4-phenylpyrazol-1-yl)phenyl]methanamine
SMILESNCc1cc(F)ccc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C16H14FN3/c17-15-6-7-16(13(8-15)9-18)20-11-14(10-19-20)12-4-2-1-3-5-12/h1-8,10-11H,9,18H2
InChIKeyOQAVAYHLANEUCJ-UHFFFAOYSA-N
XLogP3.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(bromomethyl)-4-fluorophenyl]-4-phenylpyrazole
CID 107086140
1-[4-(bromomethyl)-2-fluorophenyl]-4-phenylpyrazole
CID 107086139
5-chloro-2-(4-phenylpyrazol-1-yl)aniline
CID 62770426
5-fluoro-4-methyl-2-(4-phenylpyrazol-1-yl)aniline
CID 103590874
3,5-difluoro-4-(4-phenylpyrazol-1-yl)aniline
CID 62772004
3-(chloromethyl)-4-(4-phenylpyrazol-1-yl)pyridine
CID 81234038
[6-(4-phenylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 55112671
[5-fluoro-2-(1,2,4-triazol-4-yl)phenyl]methanamine
CID 82016594
[2-(1,3-dihydroisoindol-2-yl)-5-fluorophenyl]methanamine
CID 55049952
5-amino-2-(4-phenylpyrazol-1-yl)benzoic acid
CID 62770813
[6-(4-phenylpyrazol-1-yl)pyrazin-2-yl]methanamine
CID 66451147
(4-fluoro-2-phenylphenyl)methanamine
CID 46314898

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(4-phenylpyrazol-1-yl)phenyl]methanamine?
The IUPAC name of [5-fluoro-2-(4-phenylpyrazol-1-yl)phenyl]methanamine (CID 62771688) is [5-fluoro-2-(4-phenylpyrazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(4-phenylpyrazol-1-yl)phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-(4-phenylpyrazol-1-yl)phenyl]methanamine is NCc1cc(F)ccc1-n1cc(-c2ccccc2)cn1.
What is the InChIKey of [5-fluoro-2-(4-phenylpyrazol-1-yl)phenyl]methanamine?
The InChIKey is OQAVAYHLANEUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c17-15-6-7-16(13(8-15)9-18)20-11-14(10-19-20)12-4-2-1-3-5-12/h1-8,10-11H,9,18H2.
What are the key properties of [5-fluoro-2-(4-phenylpyrazol-1-yl)phenyl]methanamine?
[5-fluoro-2-(4-phenylpyrazol-1-yl)phenyl]methanamine has a molecular weight of 267.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(4-phenylpyrazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 62771688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).