1-(4-fluorophenyl)-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one

C20H24FN5O2 — CID 52992910

IUPAC1-(4-fluorophenyl)-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C20H24FN5O2/c21-17-2-4-18(5-3-17)26-15-16(14-19(26)27)20(28)24-11-8-23(9-12-24)10-13-25-7-1-6-22-25/h1-7,16H,8-15H2
InChIKeyUVZUXXFWJQQOAC-UHFFFAOYSA-N
MW385.44 g/mol
LogP1.22
Rot. Bonds5

About 1-(4-fluorophenyl)-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(4-fluorophenyl)-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 52992910) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID52992910
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name1-(4-fluorophenyl)-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C20H24FN5O2/c21-17-2-4-18(5-3-17)26-15-16(14-19(26)27)20(28)24-11-8-23(9-12-24)10-13-25-7-1-6-22-25/h1-7,16H,8-15H2
InChIKeyUVZUXXFWJQQOAC-UHFFFAOYSA-N
XLogP1.22
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) (1R,5S)-6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 137349224
3-[(3,5-Dimethylpyrazol-1-yl)methyl]-1-phenylpyrrolidine-2,5-dione
CID 3800305
[4-(2-Fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6467697
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
N-[4-Methoxymethyl-1-(2-pyrazol-1-yl-ethyl)-piperidin-4-yl]-N-phenyl-propionamide
CID 14879863
2-(1-isobutyl-3-oxo-2-piperazinyl)-N-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 16187839
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine
CID 16189902
N-ethyl-2-[1-(4-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
CID 16191808
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 16192341
N-(3,4-difluorophenyl)-1-(1H-pyrazol-1-ylacetyl)-3-piperidinamine
CID 24790849
1-(2-fluorophenyl)-4-{1-[(3-methyl-1H-pyrazol-1-yl)acetyl]-3-piperidinyl}piperazine
CID 24791424
1-(4-fluorophenyl)-4-{1-[(3-methyl-1H-pyrazol-1-yl)acetyl]-3-piperidinyl}piperazine
CID 24791750

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 52992910) is 1-(4-fluorophenyl)-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is UVZUXXFWJQQOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c21-17-2-4-18(5-3-17)26-15-16(14-19(26)27)20(28)24-11-8-23(9-12-24)10-13-25-7-1-6-22-25/h1-7,16H,8-15H2.
What are the key properties of 1-(4-fluorophenyl)-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(4-fluorophenyl)-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 385.44 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 52992910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).