3-(2-fluoro-4-methylphenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine

C16H15FN4 — CID 80521367

IUPAC3-(2-fluoro-4-methylphenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
SMILESCc1ccc(-c2nn(C)c(N)c2-c2cccnc2)c(F)c1
InChIInChI=1S/C16H15FN4/c1-10-5-6-12(13(17)8-10)15-14(16(18)21(2)20-15)11-4-3-7-19-9-11/h3-9H,18H2,1-2H3
InChIKeyMZGXJDRYCPCRJF-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.18
Rot. Bonds2

About 3-(2-fluoro-4-methylphenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine

3-(2-fluoro-4-methylphenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine (PubChem CID 80521367) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylphenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-fluoro-4-methylphenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
PubChem CID80521367
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name3-(2-fluoro-4-methylphenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
SMILESCc1ccc(-c2nn(C)c(N)c2-c2cccnc2)c(F)c1
InChIInChI=1S/C16H15FN4/c1-10-5-6-12(13(17)8-10)15-14(16(18)21(2)20-15)11-4-3-7-19-9-11/h3-9H,18H2,1-2H3
InChIKeyMZGXJDRYCPCRJF-UHFFFAOYSA-N
XLogP3.18
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylphenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The IUPAC name of 3-(2-fluoro-4-methylphenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine (CID 80521367) is 3-(2-fluoro-4-methylphenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine.
What is the SMILES notation for 3-(2-fluoro-4-methylphenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The canonical SMILES for 3-(2-fluoro-4-methylphenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine is Cc1ccc(-c2nn(C)c(N)c2-c2cccnc2)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylphenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The InChIKey is MZGXJDRYCPCRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-10-5-6-12(13(17)8-10)15-14(16(18)21(2)20-15)11-4-3-7-19-9-11/h3-9H,18H2,1-2H3.
What are the key properties of 3-(2-fluoro-4-methylphenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
3-(2-fluoro-4-methylphenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine has a molecular weight of 282.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylphenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine is sourced from PubChem (CID 80521367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).