3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-5-amine

C16H14FN3 — CID 63210180

IUPAC3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-5-amine
SMILESCc1cc(-c2cc(N)n(-c3ccccc3)n2)ccc1F
InChIInChI=1S/C16H14FN3/c1-11-9-12(7-8-14(11)17)15-10-16(18)20(19-15)13-5-3-2-4-6-13/h2-10H,18H2,1H3
InChIKeyOAALRZGREQINOM-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.57
Rot. Bonds2

About 3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-5-amine

3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-5-amine (PubChem CID 63210180) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-5-amine
PubChem CID63210180
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-5-amine
SMILESCc1cc(-c2cc(N)n(-c3ccccc3)n2)ccc1F
InChIInChI=1S/C16H14FN3/c1-11-9-12(7-8-14(11)17)15-10-16(18)20(19-15)13-5-3-2-4-6-13/h2-10H,18H2,1H3
InChIKeyOAALRZGREQINOM-UHFFFAOYSA-N
XLogP3.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-5-amine?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-5-amine (CID 63210180) is 3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-5-amine?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-5-amine is Cc1cc(-c2cc(N)n(-c3ccccc3)n2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-5-amine?
The InChIKey is OAALRZGREQINOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-11-9-12(7-8-14(11)17)15-10-16(18)20(19-15)13-5-3-2-4-6-13/h2-10H,18H2,1H3.
What are the key properties of 3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-5-amine?
3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-5-amine has a molecular weight of 267.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-5-amine is sourced from PubChem (CID 63210180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).