N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide

C17H15FN4O — CID 18673983

IUPACN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1C
InChIInChI=1S/C17H15FN4O/c1-11(23)20-17-15(12-7-9-19-10-8-12)16(21-22(17)2)13-3-5-14(18)6-4-13/h3-10H,1-2H3,(H,20,23)
InChIKeyFEUZRDULJLTOJP-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.25
Rot. Bonds3

About N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide

N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide (PubChem CID 18673983) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
PubChem CID18673983
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC NameN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1C
InChIInChI=1S/C17H15FN4O/c1-11(23)20-17-15(12-7-9-19-10-8-12)16(21-22(17)2)13-3-5-14(18)6-4-13/h3-10H,1-2H3,(H,20,23)
InChIKeyFEUZRDULJLTOJP-UHFFFAOYSA-N
XLogP3.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide (CID 18673983) is N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide is CC(=O)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1C.
What is the InChIKey of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The InChIKey is FEUZRDULJLTOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-11(23)20-17-15(12-7-9-19-10-8-12)16(21-22(17)2)13-3-5-14(18)6-4-13/h3-10H,1-2H3,(H,20,23).
What are the key properties of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide has a molecular weight of 310.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide is sourced from PubChem (CID 18673983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).