[5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-phenylmethanone

C16H12FN3O — CID 11565394

IUPAC[5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)cnn1-c1cccc(F)c1
InChIInChI=1S/C16H12FN3O/c17-12-7-4-8-13(9-12)20-16(18)14(10-19-20)15(21)11-5-2-1-3-6-11/h1-10H,18H2
InChIKeyGGGHLTUJORAMEK-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.82
Rot. Bonds3

About [5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-phenylmethanone

[5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-phenylmethanone (PubChem CID 11565394) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is [5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-phenylmethanone
PubChem CID11565394
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name[5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)cnn1-c1cccc(F)c1
InChIInChI=1S/C16H12FN3O/c17-12-7-4-8-13(9-12)20-16(18)14(10-19-20)15(21)11-5-2-1-3-6-11/h1-10H,18H2
InChIKeyGGGHLTUJORAMEK-UHFFFAOYSA-N
XLogP2.82
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-phenylmethanone?
The IUPAC name of [5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-phenylmethanone (CID 11565394) is [5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-phenylmethanone.
What is the SMILES notation for [5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-phenylmethanone?
The canonical SMILES for [5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-phenylmethanone is Nc1c(C(=O)c2ccccc2)cnn1-c1cccc(F)c1.
What is the InChIKey of [5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-phenylmethanone?
The InChIKey is GGGHLTUJORAMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-12-7-4-8-13(9-12)20-16(18)14(10-19-20)15(21)11-5-2-1-3-6-11/h1-10H,18H2.
What are the key properties of [5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-phenylmethanone?
[5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-phenylmethanone has a molecular weight of 281.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-phenylmethanone is sourced from PubChem (CID 11565394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).