5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine

C15H13FN4 — CID 80524485

IUPAC5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESCc1ccc(-c2[nH]nc(N)c2-c2ccncc2)c(F)c1
InChIInChI=1S/C15H13FN4/c1-9-2-3-11(12(16)8-9)14-13(15(17)20-19-14)10-4-6-18-7-5-10/h2-8H,1H3,(H3,17,19,20)
InChIKeyHPQBHIUSHWUDMI-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.17
Rot. Bonds2

About 5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine

5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine (PubChem CID 80524485) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is 5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
PubChem CID80524485
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESCc1ccc(-c2[nH]nc(N)c2-c2ccncc2)c(F)c1
InChIInChI=1S/C15H13FN4/c1-9-2-3-11(12(16)8-9)14-13(15(17)20-19-14)10-4-6-18-7-5-10/h2-8H,1H3,(H3,17,19,20)
InChIKeyHPQBHIUSHWUDMI-UHFFFAOYSA-N
XLogP3.17
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine (CID 80524485) is 5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine is Cc1ccc(-c2[nH]nc(N)c2-c2ccncc2)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The InChIKey is HPQBHIUSHWUDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4/c1-9-2-3-11(12(16)8-9)14-13(15(17)20-19-14)10-4-6-18-7-5-10/h2-8H,1H3,(H3,17,19,20).
What are the key properties of 5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine has a molecular weight of 268.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 80524485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).