4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-phenylethenyl)pyridin-2-amine

C22H17FN4 — CID 174586818

IUPAC4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-phenylethenyl)pyridin-2-amine
SMILESFc1ccc(-c2[nH]ncc2-c2ccnc(NC=Cc3ccccc3)c2)cc1
InChIInChI=1S/C22H17FN4/c23-19-8-6-17(7-9-19)22-20(15-26-27-22)18-11-13-25-21(14-18)24-12-10-16-4-2-1-3-5-16/h1-15H,(H,24,25)(H,26,27)
InChIKeyPZNYGFATUQSONV-UHFFFAOYSA-N
MW356.40 g/mol
LogP5.36
Rot. Bonds5

About 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-phenylethenyl)pyridin-2-amine

4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-phenylethenyl)pyridin-2-amine (PubChem CID 174586818) has the molecular formula C22H17FN4 and a molecular weight of 356.40 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-phenylethenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-phenylethenyl)pyridin-2-amine
PubChem CID174586818
Molecular FormulaC22H17FN4
Molecular Weight356.40 g/mol
Exact Mass356.14
IUPAC Name4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-phenylethenyl)pyridin-2-amine
SMILESFc1ccc(-c2[nH]ncc2-c2ccnc(NC=Cc3ccccc3)c2)cc1
InChIInChI=1S/C22H17FN4/c23-19-8-6-17(7-9-19)22-20(15-26-27-22)18-11-13-25-21(14-18)24-12-10-16-4-2-1-3-5-16/h1-15H,(H,24,25)(H,26,27)
InChIKeyPZNYGFATUQSONV-UHFFFAOYSA-N
XLogP5.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.40
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-phenylethenyl)pyridin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-phenylethenyl)pyridin-2-amine (CID 174586818) is 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-phenylethenyl)pyridin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-phenylethenyl)pyridin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-phenylethenyl)pyridin-2-amine is Fc1ccc(-c2[nH]ncc2-c2ccnc(NC=Cc3ccccc3)c2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-phenylethenyl)pyridin-2-amine?
The InChIKey is PZNYGFATUQSONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4/c23-19-8-6-17(7-9-19)22-20(15-26-27-22)18-11-13-25-21(14-18)24-12-10-16-4-2-1-3-5-16/h1-15H,(H,24,25)(H,26,27).
What are the key properties of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-phenylethenyl)pyridin-2-amine?
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-phenylethenyl)pyridin-2-amine has a molecular weight of 356.40 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-phenylethenyl)pyridin-2-amine is sourced from PubChem (CID 174586818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).