5-butyl-1-(2-methoxyphenyl)-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one

C20H26N4O3 — CID 70741349

IUPAC5-butyl-1-(2-methoxyphenyl)-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one
SMILESCCCCC1CN(c2ccccc2OC)C(=O)CN1C(=O)c1cc(C)[nH]n1
InChIInChI=1S/C20H26N4O3/c1-4-5-8-15-12-24(17-9-6-7-10-18(17)27-3)19(25)13-23(15)20(26)16-11-14(2)21-22-16/h6-7,9-11,15H,4-5,8,12-13H2,1-3H3,(H,21,22)
InChIKeyIARMMUMAYDTHRQ-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.77
Rot. Bonds6

About 5-butyl-1-(2-methoxyphenyl)-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one

5-butyl-1-(2-methoxyphenyl)-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one (PubChem CID 70741349) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-butyl-1-(2-methoxyphenyl)-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name5-butyl-1-(2-methoxyphenyl)-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one
PubChem CID70741349
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name5-butyl-1-(2-methoxyphenyl)-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one
SMILESCCCCC1CN(c2ccccc2OC)C(=O)CN1C(=O)c1cc(C)[nH]n1
InChIInChI=1S/C20H26N4O3/c1-4-5-8-15-12-24(17-9-6-7-10-18(17)27-3)19(25)13-23(15)20(26)16-11-14(2)21-22-16/h6-7,9-11,15H,4-5,8,12-13H2,1-3H3,(H,21,22)
InChIKeyIARMMUMAYDTHRQ-UHFFFAOYSA-N
XLogP2.77
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-butyl-1-(2-methoxyphenyl)-4-(1H-pyrrole-2-carbonyl)piperazin-2-one
CID 96571070
(5R)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3-phenylphenyl)piperazin-2-one
CID 96582352
1-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 70775777
[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 70709461
(5R)-5-butyl-1-(4-chlorophenyl)-4-(1H-pyrazole-5-carbonyl)piperazin-2-one
CID 96571045
ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075916
(5S)-4-acetyl-5-butyl-1-(3-phenylphenyl)piperazin-2-one
CID 96572578
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56797957
[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 70754396
4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one
CID 70748407
5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one
CID 70786611
(5R)-5-butyl-4-(1-methylimidazole-2-carbonyl)-1-(3-phenylphenyl)piperazin-2-one
CID 96582094

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-(2-methoxyphenyl)-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one?
The IUPAC name of 5-butyl-1-(2-methoxyphenyl)-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one (CID 70741349) is 5-butyl-1-(2-methoxyphenyl)-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 5-butyl-1-(2-methoxyphenyl)-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one?
The canonical SMILES for 5-butyl-1-(2-methoxyphenyl)-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one is CCCCC1CN(c2ccccc2OC)C(=O)CN1C(=O)c1cc(C)[nH]n1.
What is the InChIKey of 5-butyl-1-(2-methoxyphenyl)-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one?
The InChIKey is IARMMUMAYDTHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-5-8-15-12-24(17-9-6-7-10-18(17)27-3)19(25)13-23(15)20(26)16-11-14(2)21-22-16/h6-7,9-11,15H,4-5,8,12-13H2,1-3H3,(H,21,22).
What are the key properties of 5-butyl-1-(2-methoxyphenyl)-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one?
5-butyl-1-(2-methoxyphenyl)-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one has a molecular weight of 370.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-(2-methoxyphenyl)-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 70741349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).