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

C21H17FN4O — CID 56950883

IUPAC4-(4-fluorophenyl)-1-(4-methoxyphenyl)-3-pyridin-4-ylpyrazol-5-amine
SMILESCOc1ccc(-n2nc(-c3ccncc3)c(-c3ccc(F)cc3)c2N)cc1
InChIInChI=1S/C21H17FN4O/c1-27-18-8-6-17(7-9-18)26-21(23)19(14-2-4-16(22)5-3-14)20(25-26)15-10-12-24-13-11-15/h2-13H,23H2,1H3
InChIKeyIWHNLQIOFUKXPQ-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.33
Rot. Bonds4

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

4-(4-fluorophenyl)-1-(4-methoxyphenyl)-3-pyridin-4-ylpyrazol-5-amine (PubChem CID 56950883) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-3-pyridin-4-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-(4-methoxyphenyl)-3-pyridin-4-ylpyrazol-5-amine
PubChem CID56950883
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name4-(4-fluorophenyl)-1-(4-methoxyphenyl)-3-pyridin-4-ylpyrazol-5-amine
SMILESCOc1ccc(-n2nc(-c3ccncc3)c(-c3ccc(F)cc3)c2N)cc1
InChIInChI=1S/C21H17FN4O/c1-27-18-8-6-17(7-9-18)26-21(23)19(14-2-4-16(22)5-3-14)20(25-26)15-10-12-24-13-11-15/h2-13H,23H2,1H3
InChIKeyIWHNLQIOFUKXPQ-UHFFFAOYSA-N
XLogP4.33
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-3-pyridin-4-ylpyrazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-3-pyridin-4-ylpyrazol-5-amine (CID 56950883) is 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-3-pyridin-4-ylpyrazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-3-pyridin-4-ylpyrazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-3-pyridin-4-ylpyrazol-5-amine is COc1ccc(-n2nc(-c3ccncc3)c(-c3ccc(F)cc3)c2N)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-3-pyridin-4-ylpyrazol-5-amine?
The InChIKey is IWHNLQIOFUKXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-27-18-8-6-17(7-9-18)26-21(23)19(14-2-4-16(22)5-3-14)20(25-26)15-10-12-24-13-11-15/h2-13H,23H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-3-pyridin-4-ylpyrazol-5-amine?
4-(4-fluorophenyl)-1-(4-methoxyphenyl)-3-pyridin-4-ylpyrazol-5-amine has a molecular weight of 360.39 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-(4-methoxyphenyl)-3-pyridin-4-ylpyrazol-5-amine is sourced from PubChem (CID 56950883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).