4-(4-fluorophenyl)-1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-amine

C21H17FN4 — CID 56950885

IUPAC4-(4-fluorophenyl)-1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-amine
SMILESCc1ccc(-n2nc(-c3ccncc3)c(-c3ccc(F)cc3)c2N)cc1
InChIInChI=1S/C21H17FN4/c1-14-2-8-18(9-3-14)26-21(23)19(15-4-6-17(22)7-5-15)20(25-26)16-10-12-24-13-11-16/h2-13H,23H2,1H3
InChIKeyAQJQNSDTWMNXDA-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.63
Rot. Bonds3

About 4-(4-fluorophenyl)-1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-amine

4-(4-fluorophenyl)-1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-amine (PubChem CID 56950885) has the molecular formula C21H17FN4 and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-amine
PubChem CID56950885
Molecular FormulaC21H17FN4
Molecular Weight344.39 g/mol
Exact Mass344.14
IUPAC Name4-(4-fluorophenyl)-1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-amine
SMILESCc1ccc(-n2nc(-c3ccncc3)c(-c3ccc(F)cc3)c2N)cc1
InChIInChI=1S/C21H17FN4/c1-14-2-8-18(9-3-14)26-21(23)19(15-4-6-17(22)7-5-15)20(25-26)16-10-12-24-13-11-16/h2-13H,23H2,1H3
InChIKeyAQJQNSDTWMNXDA-UHFFFAOYSA-N
XLogP4.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)-1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-amine (CID 56950885) is 4-(4-fluorophenyl)-1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)-1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-amine is Cc1ccc(-n2nc(-c3ccncc3)c(-c3ccc(F)cc3)c2N)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-amine?
The InChIKey is AQJQNSDTWMNXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4/c1-14-2-8-18(9-3-14)26-21(23)19(15-4-6-17(22)7-5-15)20(25-26)16-10-12-24-13-11-16/h2-13H,23H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-amine?
4-(4-fluorophenyl)-1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-amine has a molecular weight of 344.39 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-amine is sourced from PubChem (CID 56950885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).