[5-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]methanamine

C16H13F2N3 — CID 82072742

IUPAC[5-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]methanamine
SMILESNCc1cc(-c2ccccc2F)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H13F2N3/c17-11-5-7-13(8-6-11)21-16(9-12(10-19)20-21)14-3-1-2-4-15(14)18/h1-9H,10,19H2
InChIKeyYJCAJHCMBBTEBF-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.28
Rot. Bonds3

About [5-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]methanamine

[5-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]methanamine (PubChem CID 82072742) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]methanamine
PubChem CID82072742
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name[5-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]methanamine
SMILESNCc1cc(-c2ccccc2F)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H13F2N3/c17-11-5-7-13(8-6-11)21-16(9-12(10-19)20-21)14-3-1-2-4-15(14)18/h1-9H,10,19H2
InChIKeyYJCAJHCMBBTEBF-UHFFFAOYSA-N
XLogP3.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole
CID 19587295
2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine
CID 82072636
[1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
CID 82072979
[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
CID 82072614
[1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 82072208
[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
CID 82072215
2-[1-ethyl-5-(2-fluorophenyl)pyrazol-3-yl]ethanamine
CID 105492850
1-(2-chlorophenyl)-5-(2-fluorophenyl)-3-(methoxymethyl)pyrazole
CID 67848090
[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methanamine
CID 52951388
2-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]ethanamine
CID 82086518
2-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]benzenesulfonamide
CID 67662509
3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole
CID 10781681

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]methanamine?
The IUPAC name of [5-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]methanamine (CID 82072742) is [5-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [5-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [5-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]methanamine is NCc1cc(-c2ccccc2F)n(-c2ccc(F)cc2)n1.
What is the InChIKey of [5-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]methanamine?
The InChIKey is YJCAJHCMBBTEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c17-11-5-7-13(8-6-11)21-16(9-12(10-19)20-21)14-3-1-2-4-15(14)18/h1-9H,10,19H2.
What are the key properties of [5-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]methanamine?
[5-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]methanamine has a molecular weight of 285.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 82072742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).