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

C15H14FN5 — CID 83203239

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3-(4-fluorophenyl)pyrazol-4-amine
SMILESCc1cc(C)nc(-n2cc(N)c(-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C15H14FN5/c1-9-7-10(2)19-15(18-9)21-8-13(17)14(20-21)11-3-5-12(16)6-4-11/h3-8H,17H2,1-2H3
InChIKeyNPLNBFOAXFCUNI-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.67
Rot. Bonds2

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

1-(4,6-dimethylpyrimidin-2-yl)-3-(4-fluorophenyl)pyrazol-4-amine (PubChem CID 83203239) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3-(4-fluorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3-(4-fluorophenyl)pyrazol-4-amine
PubChem CID83203239
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3-(4-fluorophenyl)pyrazol-4-amine
SMILESCc1cc(C)nc(-n2cc(N)c(-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C15H14FN5/c1-9-7-10(2)19-15(18-9)21-8-13(17)14(20-21)11-3-5-12(16)6-4-11/h3-8H,17H2,1-2H3
InChIKeyNPLNBFOAXFCUNI-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-(4,6-dimethylpyrimidin-2-yl)-3-(4-fluorophenyl)pyrazol-4-amine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-(4-fluorophenyl)pyrazol-4-amine (CID 83203239) is 1-(4,6-dimethylpyrimidin-2-yl)-3-(4-fluorophenyl)pyrazol-4-amine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3-(4-fluorophenyl)pyrazol-4-amine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3-(4-fluorophenyl)pyrazol-4-amine is Cc1cc(C)nc(-n2cc(N)c(-c3ccc(F)cc3)n2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3-(4-fluorophenyl)pyrazol-4-amine?
The InChIKey is NPLNBFOAXFCUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c1-9-7-10(2)19-15(18-9)21-8-13(17)14(20-21)11-3-5-12(16)6-4-11/h3-8H,17H2,1-2H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3-(4-fluorophenyl)pyrazol-4-amine?
1-(4,6-dimethylpyrimidin-2-yl)-3-(4-fluorophenyl)pyrazol-4-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-(4,6-dimethylpyrimidin-2-yl)-3-(4-fluorophenyl)pyrazol-4-amine is sourced from PubChem (CID 83203239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).