[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone

C17H14FN3O — CID 73012259

IUPAC[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cnn(-c3ccc(F)cc3)c2N)cc1
InChIInChI=1S/C17H14FN3O/c1-11-2-4-12(5-3-11)16(22)15-10-20-21(17(15)19)14-8-6-13(18)7-9-14/h2-10H,19H2,1H3
InChIKeyPRQLUOWJZCYDNJ-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.13
Rot. Bonds3

About [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone

[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone (PubChem CID 73012259) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone
PubChem CID73012259
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cnn(-c3ccc(F)cc3)c2N)cc1
InChIInChI=1S/C17H14FN3O/c1-11-2-4-12(5-3-11)16(22)15-10-20-21(17(15)19)14-8-6-13(18)7-9-14/h2-10H,19H2,1H3
InChIKeyPRQLUOWJZCYDNJ-UHFFFAOYSA-N
XLogP3.13
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone (CID 73012259) is [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cnn(-c3ccc(F)cc3)c2N)cc1.
What is the InChIKey of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone?
The InChIKey is PRQLUOWJZCYDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-11-2-4-12(5-3-11)16(22)15-10-20-21(17(15)19)14-8-6-13(18)7-9-14/h2-10H,19H2,1H3.
What are the key properties of [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone?
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone has a molecular weight of 295.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 73012259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).