1-cyclohexyl-4-[1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-2-one

C20H23FN4O2 — CID 46964597

IUPAC1-cyclohexyl-4-[1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-2-one
SMILESO=C(c1cnn(-c2ccc(F)cc2)c1)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C20H23FN4O2/c21-16-6-8-18(9-7-16)25-13-15(12-22-25)20(27)23-10-11-24(19(26)14-23)17-4-2-1-3-5-17/h6-9,12-13,17H,1-5,10-11,14H2
InChIKeyMNMPTMUEXWWLIS-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.63
Rot. Bonds3

About 1-cyclohexyl-4-[1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-2-one

1-cyclohexyl-4-[1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-2-one (PubChem CID 46964597) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-cyclohexyl-4-[1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-2-one
PubChem CID46964597
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name1-cyclohexyl-4-[1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-2-one
SMILESO=C(c1cnn(-c2ccc(F)cc2)c1)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C20H23FN4O2/c21-16-6-8-18(9-7-16)25-13-15(12-22-25)20(27)23-10-11-24(19(26)14-23)17-4-2-1-3-5-17/h6-9,12-13,17H,1-5,10-11,14H2
InChIKeyMNMPTMUEXWWLIS-UHFFFAOYSA-N
XLogP2.63
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one
CID 56739229
[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone
CID 129403659
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
4-(5-chloro-6-fluoropyridine-3-carbonyl)-1-cyclopropylpiperazin-2-one
CID 136561683
1-[[3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)-4-fluorophenyl]methyl]-6-fluorocinnolin-4-one
CID 87360944
[1-(4-bromophenyl)pyrazol-4-yl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112836546
1-cyclopropyl-4-[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one
CID 97077904
[1-(4-fluorophenyl)pyrazol-4-yl]-(2-thia-9-azaspiro[4.5]decan-9-yl)methanone
CID 166239988
1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one
CID 56918809
4-[1-[(2-chloro-4-fluorophenyl)methyl]triazole-4-carbonyl]-1-cyclopentylpiperazin-2-one
CID 25306791
4-cyclohexyl-N-[(2,6-difluoro-3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide
CID 119071281
[1-(4-chlorophenyl)pyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996323

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-2-one?
The IUPAC name of 1-cyclohexyl-4-[1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-2-one (CID 46964597) is 1-cyclohexyl-4-[1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-[1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-2-one?
The canonical SMILES for 1-cyclohexyl-4-[1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-2-one is O=C(c1cnn(-c2ccc(F)cc2)c1)N1CCN(C2CCCCC2)C(=O)C1.
What is the InChIKey of 1-cyclohexyl-4-[1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-2-one?
The InChIKey is MNMPTMUEXWWLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-16-6-8-18(9-7-16)25-13-15(12-22-25)20(27)23-10-11-24(19(26)14-23)17-4-2-1-3-5-17/h6-9,12-13,17H,1-5,10-11,14H2.
What are the key properties of 1-cyclohexyl-4-[1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-2-one?
1-cyclohexyl-4-[1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-2-one has a molecular weight of 370.43 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-2-one is sourced from PubChem (CID 46964597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).