(3S)-3-(3-fluorophenyl)-4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-2-one

C20H17FN4O2 — CID 95136778

IUPAC(3S)-3-(3-fluorophenyl)-4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccc(-c3ccn[nH]3)cc2)[C@H]1c1cccc(F)c1
InChIInChI=1S/C20H17FN4O2/c21-16-3-1-2-15(12-16)18-19(26)22-10-11-25(18)20(27)14-6-4-13(5-7-14)17-8-9-23-24-17/h1-9,12,18H,10-11H2,(H,22,26)(H,23,24)/t18-/m0/s1
InChIKeyHWSVQAZWRHWJEF-SFHVURJKSA-N
MW364.38 g/mol
LogP2.53
Rot. Bonds3

About (3S)-3-(3-fluorophenyl)-4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-2-one

(3S)-3-(3-fluorophenyl)-4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-2-one (PubChem CID 95136778) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is (3S)-3-(3-fluorophenyl)-4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-(3-fluorophenyl)-4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-2-one
PubChem CID95136778
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name(3S)-3-(3-fluorophenyl)-4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccc(-c3ccn[nH]3)cc2)[C@H]1c1cccc(F)c1
InChIInChI=1S/C20H17FN4O2/c21-16-3-1-2-15(12-16)18-19(26)22-10-11-25(18)20(27)14-6-4-13(5-7-14)17-8-9-23-24-17/h1-9,12,18H,10-11H2,(H,22,26)(H,23,24)/t18-/m0/s1
InChIKeyHWSVQAZWRHWJEF-SFHVURJKSA-N
XLogP2.53
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(3-fluorophenyl)-4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-fluorophenyl)-4-[4-(2-methyltetrazol-5-yl)benzoyl]piperazin-2-one
CID 77090341
(3S)-4-[4-(3-aminopropoxy)benzoyl]-3-(3-fluorophenyl)piperazin-2-one
CID 125168382
(3R)-3-(3-fluorophenyl)-4-[2-(methylamino)pyridine-4-carbonyl]piperazin-2-one
CID 95147843
4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428493
2-[2-(3-fluorophenyl)-3-oxopiperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 154567312
(3S)-3-(3-fluorophenyl)-4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-2-one
CID 97126846
3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one
CID 110425971
4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657161
3-(3-fluorophenyl)-4-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one
CID 154568818
3-(3-fluorophenyl)-4-[2-(2-phenylimidazol-1-yl)acetyl]piperazin-2-one
CID 72862229
N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669940
[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 97454861

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-fluorophenyl)-4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-2-one?
The IUPAC name of (3S)-3-(3-fluorophenyl)-4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-2-one (CID 95136778) is (3S)-3-(3-fluorophenyl)-4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-2-one.
What is the SMILES notation for (3S)-3-(3-fluorophenyl)-4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-2-one?
The canonical SMILES for (3S)-3-(3-fluorophenyl)-4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-2-one is O=C1NCCN(C(=O)c2ccc(-c3ccn[nH]3)cc2)[C@H]1c1cccc(F)c1.
What is the InChIKey of (3S)-3-(3-fluorophenyl)-4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-2-one?
The InChIKey is HWSVQAZWRHWJEF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H17FN4O2/c21-16-3-1-2-15(12-16)18-19(26)22-10-11-25(18)20(27)14-6-4-13(5-7-14)17-8-9-23-24-17/h1-9,12,18H,10-11H2,(H,22,26)(H,23,24)/t18-/m0/s1.
What are the key properties of (3S)-3-(3-fluorophenyl)-4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-2-one?
(3S)-3-(3-fluorophenyl)-4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-2-one has a molecular weight of 364.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-fluorophenyl)-4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-2-one is sourced from PubChem (CID 95136778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).