N-(3-fluorophenyl)-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide

C21H17FN4O3 — CID 91887384

IUPACN-(3-fluorophenyl)-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESO=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)Nc1cccc(F)c1
InChIInChI=1S/C21H17FN4O3/c22-15-7-4-8-16(11-15)23-18(28)12-25-9-10-26-20(21(25)29)17(13-27)19(24-26)14-5-2-1-3-6-14/h1-11,27H,12-13H2,(H,23,28)
InChIKeyZRZSXUXUXWNOTQ-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.43
Rot. Bonds5

About N-(3-fluorophenyl)-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide

N-(3-fluorophenyl)-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide (PubChem CID 91887384) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide
PubChem CID91887384
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC NameN-(3-fluorophenyl)-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESO=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)Nc1cccc(F)c1
InChIInChI=1S/C21H17FN4O3/c22-15-7-4-8-16(11-15)23-18(28)12-25-9-10-26-20(21(25)29)17(13-27)19(24-26)14-5-2-1-3-6-14/h1-11,27H,12-13H2,(H,23,28)
InChIKeyZRZSXUXUXWNOTQ-UHFFFAOYSA-N
XLogP2.43
TPSA88.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide (CID 91887384) is N-(3-fluorophenyl)-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide is O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The InChIKey is ZRZSXUXUXWNOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3/c22-15-7-4-8-16(11-15)23-18(28)12-25-9-10-26-20(21(25)29)17(13-27)19(24-26)14-5-2-1-3-6-14/h1-11,27H,12-13H2,(H,23,28).
What are the key properties of N-(3-fluorophenyl)-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide?
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide has a molecular weight of 392.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide is sourced from PubChem (CID 91887384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).