(5R)-5-butyl-1-(4-chlorophenyl)-4-(1H-pyrazole-5-carbonyl)piperazin-2-one

C18H21ClN4O2 — CID 96571045

IUPAC(5R)-5-butyl-1-(4-chlorophenyl)-4-(1H-pyrazole-5-carbonyl)piperazin-2-one
SMILESCCCC[C@@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)c1ccn[nH]1
InChIInChI=1S/C18H21ClN4O2/c1-2-3-4-15-11-22(14-7-5-13(19)6-8-14)17(24)12-23(15)18(25)16-9-10-20-21-16/h5-10,15H,2-4,11-12H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeyLDDPXPLKYSXSHZ-OAHLLOKOSA-N
MW360.85 g/mol
LogP3.11
Rot. Bonds5

About (5R)-5-butyl-1-(4-chlorophenyl)-4-(1H-pyrazole-5-carbonyl)piperazin-2-one

(5R)-5-butyl-1-(4-chlorophenyl)-4-(1H-pyrazole-5-carbonyl)piperazin-2-one (PubChem CID 96571045) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is (5R)-5-butyl-1-(4-chlorophenyl)-4-(1H-pyrazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(5R)-5-butyl-1-(4-chlorophenyl)-4-(1H-pyrazole-5-carbonyl)piperazin-2-one
PubChem CID96571045
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name(5R)-5-butyl-1-(4-chlorophenyl)-4-(1H-pyrazole-5-carbonyl)piperazin-2-one
SMILESCCCC[C@@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)c1ccn[nH]1
InChIInChI=1S/C18H21ClN4O2/c1-2-3-4-15-11-22(14-7-5-13(19)6-8-14)17(24)12-23(15)18(25)16-9-10-20-21-16/h5-10,15H,2-4,11-12H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeyLDDPXPLKYSXSHZ-OAHLLOKOSA-N
XLogP3.11
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-butyl-1-(4-chlorophenyl)-4-(3-hydroxypropanoyl)piperazin-2-one
CID 96572867
(5R)-4-(4-aminobutanoyl)-5-butyl-1-(4-chlorophenyl)piperazin-2-one
CID 126451438
(5R)-5-butyl-1-(3-chlorophenyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-2-one
CID 96575129
(5S)-5-butyl-1-(2-methoxyphenyl)-4-(1H-pyrrole-2-carbonyl)piperazin-2-one
CID 96571070
(5R)-5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one
CID 96582094
5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one
CID 70786611
5-butyl-4-(2-ethylpyrimidine-5-carbonyl)-1-(3-methylphenyl)piperazin-2-one
CID 70782872
1-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 70775777
3-[2-[(2R)-4-(4-chlorophenyl)-2-methyl-5-oxopiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 96579942
(5S)-4-acetyl-5-butyl-1-(3-phenylphenyl)piperazin-2-one
CID 96572578
5-butyl-1-(2-methoxyphenyl)-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 70741349
1-[2-butyl-5-oxo-4-(3-phenylphenyl)piperazin-1-yl]propane-1,2-dione
CID 70730178

Frequently Asked Questions

What is the IUPAC name of (5R)-5-butyl-1-(4-chlorophenyl)-4-(1H-pyrazole-5-carbonyl)piperazin-2-one?
The IUPAC name of (5R)-5-butyl-1-(4-chlorophenyl)-4-(1H-pyrazole-5-carbonyl)piperazin-2-one (CID 96571045) is (5R)-5-butyl-1-(4-chlorophenyl)-4-(1H-pyrazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for (5R)-5-butyl-1-(4-chlorophenyl)-4-(1H-pyrazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for (5R)-5-butyl-1-(4-chlorophenyl)-4-(1H-pyrazole-5-carbonyl)piperazin-2-one is CCCC[C@@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)c1ccn[nH]1.
What is the InChIKey of (5R)-5-butyl-1-(4-chlorophenyl)-4-(1H-pyrazole-5-carbonyl)piperazin-2-one?
The InChIKey is LDDPXPLKYSXSHZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-2-3-4-15-11-22(14-7-5-13(19)6-8-14)17(24)12-23(15)18(25)16-9-10-20-21-16/h5-10,15H,2-4,11-12H2,1H3,(H,20,21)/t15-/m1/s1.
What are the key properties of (5R)-5-butyl-1-(4-chlorophenyl)-4-(1H-pyrazole-5-carbonyl)piperazin-2-one?
(5R)-5-butyl-1-(4-chlorophenyl)-4-(1H-pyrazole-5-carbonyl)piperazin-2-one has a molecular weight of 360.85 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-butyl-1-(4-chlorophenyl)-4-(1H-pyrazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 96571045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).