1-(1,5-dimethylpyrazol-3-yl)-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone

C21H18FN5O — CID 67106459

IUPAC1-(1,5-dimethylpyrazol-3-yl)-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone
SMILESCc1cc(C(=O)Cn2cc(-c3ccncc3)c(-c3ccc(F)cc3)n2)nn1C
InChIInChI=1S/C21H18FN5O/c1-14-11-19(24-26(14)2)20(28)13-27-12-18(15-7-9-23-10-8-15)21(25-27)16-3-5-17(22)6-4-16/h3-12H,13H2,1-2H3
InChIKeyLIWLNNWUQKCAAP-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.68
Rot. Bonds5

About 1-(1,5-dimethylpyrazol-3-yl)-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone

1-(1,5-dimethylpyrazol-3-yl)-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone (PubChem CID 67106459) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone
PubChem CID67106459
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone
SMILESCc1cc(C(=O)Cn2cc(-c3ccncc3)c(-c3ccc(F)cc3)n2)nn1C
InChIInChI=1S/C21H18FN5O/c1-14-11-19(24-26(14)2)20(28)13-27-12-18(15-7-9-23-10-8-15)21(25-27)16-3-5-17(22)6-4-16/h3-12H,13H2,1-2H3
InChIKeyLIWLNNWUQKCAAP-UHFFFAOYSA-N
XLogP3.68
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone (CID 67106459) is 1-(1,5-dimethylpyrazol-3-yl)-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone is Cc1cc(C(=O)Cn2cc(-c3ccncc3)c(-c3ccc(F)cc3)n2)nn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone?
The InChIKey is LIWLNNWUQKCAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-14-11-19(24-26(14)2)20(28)13-27-12-18(15-7-9-23-10-8-15)21(25-27)16-3-5-17(22)6-4-16/h3-12H,13H2,1-2H3.
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone?
1-(1,5-dimethylpyrazol-3-yl)-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone has a molecular weight of 375.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone is sourced from PubChem (CID 67106459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).