1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylpropan-2-one

C23H18FN3O — CID 24821849

IUPAC1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)Cc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C23H18FN3O/c24-19-8-6-18(7-9-19)23-22(17-10-12-25-13-11-17)21(26-27-23)15-20(28)14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,26,27)
InChIKeyNCFVLQRJWKATCV-UHFFFAOYSA-N
MW371.42 g/mol
LogP4.63
Rot. Bonds6

About 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylpropan-2-one

1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylpropan-2-one (PubChem CID 24821849) has the molecular formula C23H18FN3O and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylpropan-2-one
PubChem CID24821849
Molecular FormulaC23H18FN3O
Molecular Weight371.42 g/mol
Exact Mass371.14
IUPAC Name1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)Cc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C23H18FN3O/c24-19-8-6-18(7-9-19)23-22(17-10-12-25-13-11-17)21(26-27-23)15-20(28)14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,26,27)
InChIKeyNCFVLQRJWKATCV-UHFFFAOYSA-N
XLogP4.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylpropan-2-one?
The IUPAC name of 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylpropan-2-one (CID 24821849) is 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylpropan-2-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylpropan-2-one is O=C(Cc1ccccc1)Cc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylpropan-2-one?
The InChIKey is NCFVLQRJWKATCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O/c24-19-8-6-18(7-9-19)23-22(17-10-12-25-13-11-17)21(26-27-23)15-20(28)14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,26,27).
What are the key properties of 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylpropan-2-one?
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylpropan-2-one has a molecular weight of 371.42 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylpropan-2-one is sourced from PubChem (CID 24821849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).