[3-fluoro-4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine

C17H16FN3 — CID 62770083

IUPAC[3-fluoro-4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine
SMILESNCc1ccc(Cn2cc(-c3ccccc3)cn2)c(F)c1
InChIInChI=1S/C17H16FN3/c18-17-8-13(9-19)6-7-15(17)11-21-12-16(10-20-21)14-4-2-1-3-5-14/h1-8,10,12H,9,11,19H2
InChIKeyXTJURNGDNZHWQA-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.20
Rot. Bonds4

About [3-fluoro-4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine

[3-fluoro-4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine (PubChem CID 62770083) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is [3-fluoro-4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine
PubChem CID62770083
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name[3-fluoro-4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine
SMILESNCc1ccc(Cn2cc(-c3ccccc3)cn2)c(F)c1
InChIInChI=1S/C17H16FN3/c18-17-8-13(9-19)6-7-15(17)11-21-12-16(10-20-21)14-4-2-1-3-5-14/h1-8,10,12H,9,11,19H2
InChIKeyXTJURNGDNZHWQA-UHFFFAOYSA-N
XLogP3.20
TPSA43.84 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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-fluoro-4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-fluoro-4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine (CID 62770083) is [3-fluoro-4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine is NCc1ccc(Cn2cc(-c3ccccc3)cn2)c(F)c1.
What is the InChIKey of [3-fluoro-4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine?
The InChIKey is XTJURNGDNZHWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c18-17-8-13(9-19)6-7-15(17)11-21-12-16(10-20-21)14-4-2-1-3-5-14/h1-8,10,12H,9,11,19H2.
What are the key properties of [3-fluoro-4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine?
[3-fluoro-4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine has a molecular weight of 281.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 62770083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).