1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-5-amine

C16H14FN3 — CID 1478026

IUPAC1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-c2cc(N)n(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H14FN3/c1-11-2-4-12(5-3-11)15-10-16(18)20(19-15)14-8-6-13(17)7-9-14/h2-10H,18H2,1H3
InChIKeyXUYXSEVDAHKAQM-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.57
Rot. Bonds2

About 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-5-amine

1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-5-amine (PubChem CID 1478026) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-5-amine
PubChem CID1478026
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-c2cc(N)n(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H14FN3/c1-11-2-4-12(5-3-11)15-10-16(18)20(19-15)14-8-6-13(17)7-9-14/h2-10H,18H2,1H3
InChIKeyXUYXSEVDAHKAQM-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 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-5-amine?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-5-amine (CID 1478026) is 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-5-amine is Cc1ccc(-c2cc(N)n(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-5-amine?
The InChIKey is XUYXSEVDAHKAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-11-2-4-12(5-3-11)15-10-16(18)20(19-15)14-8-6-13(17)7-9-14/h2-10H,18H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-5-amine?
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-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 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 1478026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).