[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-pyridin-3-ylphenyl)methanone

C21H15FN4O — CID 11602903

IUPAC[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-pyridin-3-ylphenyl)methanone
SMILESNc1c(C(=O)c2ccc(-c3cccnc3)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H15FN4O/c22-17-7-9-18(10-8-17)26-21(23)19(13-25-26)20(27)15-5-3-14(4-6-15)16-2-1-11-24-12-16/h1-13H,23H2
InChIKeyKSUBRNWNBRUYKF-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.89
Rot. Bonds4

About [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-pyridin-3-ylphenyl)methanone

[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-pyridin-3-ylphenyl)methanone (PubChem CID 11602903) has the molecular formula C21H15FN4O and a molecular weight of 358.38 g/mol. Its IUPAC name is [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-pyridin-3-ylphenyl)methanone.

Molecular Properties

Compound Name[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-pyridin-3-ylphenyl)methanone
PubChem CID11602903
Molecular FormulaC21H15FN4O
Molecular Weight358.38 g/mol
Exact Mass358.12
IUPAC Name[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-pyridin-3-ylphenyl)methanone
SMILESNc1c(C(=O)c2ccc(-c3cccnc3)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H15FN4O/c22-17-7-9-18(10-8-17)26-21(23)19(13-25-26)20(27)15-5-3-14(4-6-15)16-2-1-11-24-12-16/h1-13H,23H2
InChIKeyKSUBRNWNBRUYKF-UHFFFAOYSA-N
XLogP3.89
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-pyridin-3-ylphenyl)methanone?
The IUPAC name of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-pyridin-3-ylphenyl)methanone (CID 11602903) is [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-pyridin-3-ylphenyl)methanone.
What is the SMILES notation for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-pyridin-3-ylphenyl)methanone?
The canonical SMILES for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-pyridin-3-ylphenyl)methanone is Nc1c(C(=O)c2ccc(-c3cccnc3)cc2)cnn1-c1ccc(F)cc1.
What is the InChIKey of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-pyridin-3-ylphenyl)methanone?
The InChIKey is KSUBRNWNBRUYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O/c22-17-7-9-18(10-8-17)26-21(23)19(13-25-26)20(27)15-5-3-14(4-6-15)16-2-1-11-24-12-16/h1-13H,23H2.
What are the key properties of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-pyridin-3-ylphenyl)methanone?
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-pyridin-3-ylphenyl)methanone has a molecular weight of 358.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-pyridin-3-ylphenyl)methanone is sourced from PubChem (CID 11602903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).