1-(2,6-dimethylpyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-5-amine

C15H14FN5 — CID 79826804

IUPAC1-(2,6-dimethylpyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-5-amine
SMILESCc1cc(-n2nc(-c3ccc(F)cc3)cc2N)nc(C)n1
InChIInChI=1S/C15H14FN5/c1-9-7-15(19-10(2)18-9)21-14(17)8-13(20-21)11-3-5-12(16)6-4-11/h3-8H,17H2,1-2H3
InChIKeyOBBTWGZIURSQEL-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.67
Rot. Bonds2

About 1-(2,6-dimethylpyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-5-amine

1-(2,6-dimethylpyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-5-amine (PubChem CID 79826804) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-5-amine
PubChem CID79826804
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name1-(2,6-dimethylpyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-5-amine
SMILESCc1cc(-n2nc(-c3ccc(F)cc3)cc2N)nc(C)n1
InChIInChI=1S/C15H14FN5/c1-9-7-15(19-10(2)18-9)21-14(17)8-13(20-21)11-3-5-12(16)6-4-11/h3-8H,17H2,1-2H3
InChIKeyOBBTWGZIURSQEL-UHFFFAOYSA-N
XLogP2.67
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-5-amine?
The IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-5-amine (CID 79826804) is 1-(2,6-dimethylpyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-5-amine.
What is the SMILES notation for 1-(2,6-dimethylpyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-5-amine?
The canonical SMILES for 1-(2,6-dimethylpyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-5-amine is Cc1cc(-n2nc(-c3ccc(F)cc3)cc2N)nc(C)n1.
What is the InChIKey of 1-(2,6-dimethylpyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-5-amine?
The InChIKey is OBBTWGZIURSQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c1-9-7-15(19-10(2)18-9)21-14(17)8-13(20-21)11-3-5-12(16)6-4-11/h3-8H,17H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-5-amine?
1-(2,6-dimethylpyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-5-amine has a molecular weight of 283.31 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-5-amine is sourced from PubChem (CID 79826804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).