N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide

C18H17FN4O2 — CID 18674047

IUPACN-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1CCO
InChIInChI=1S/C18H17FN4O2/c1-12(25)21-18-16(13-6-8-20-9-7-13)17(22-23(18)10-11-24)14-2-4-15(19)5-3-14/h2-9,24H,10-11H2,1H3,(H,21,25)
InChIKeyNSWCDGQMDLGOTK-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.70
Rot. Bonds5

About N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide

N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide (PubChem CID 18674047) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide
PubChem CID18674047
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1CCO
InChIInChI=1S/C18H17FN4O2/c1-12(25)21-18-16(13-6-8-20-9-7-13)17(22-23(18)10-11-24)14-2-4-15(19)5-3-14/h2-9,24H,10-11H2,1H3,(H,21,25)
InChIKeyNSWCDGQMDLGOTK-UHFFFAOYSA-N
XLogP2.70
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide (CID 18674047) is N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide is CC(=O)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1CCO.
What is the InChIKey of N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The InChIKey is NSWCDGQMDLGOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-12(25)21-18-16(13-6-8-20-9-7-13)17(22-23(18)10-11-24)14-2-4-15(19)5-3-14/h2-9,24H,10-11H2,1H3,(H,21,25).
What are the key properties of N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide?
N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide has a molecular weight of 340.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide is sourced from PubChem (CID 18674047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).