1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one

C19H24N4O3 — CID 70763536

IUPAC1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
SMILESCCC(C(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1)n1cccn1
InChIInChI=1S/C19H24N4O3/c1-3-17(23-9-5-8-20-23)19(25)22-12-10-21(11-13-22)18(24)15-6-4-7-16(14-15)26-2/h4-9,14,17H,3,10-13H2,1-2H3
InChIKeyHVSFVCVLWILUKH-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.83
Rot. Bonds5

About 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one

1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one (PubChem CID 70763536) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
PubChem CID70763536
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
SMILESCCC(C(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1)n1cccn1
InChIInChI=1S/C19H24N4O3/c1-3-17(23-9-5-8-20-23)19(25)22-12-10-21(11-13-22)18(24)15-6-4-7-16(14-15)26-2/h4-9,14,17H,3,10-13H2,1-2H3
InChIKeyHVSFVCVLWILUKH-UHFFFAOYSA-N
XLogP1.83
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70781977
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 70726909
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195
1-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 91838771
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70724830
[4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 70716411
4-(3-methoxybenzoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide
CID 55836464
(3-methoxyphenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 90571382

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one?
The IUPAC name of 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one (CID 70763536) is 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one.
What is the SMILES notation for 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one?
The canonical SMILES for 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one is CCC(C(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1)n1cccn1.
What is the InChIKey of 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one?
The InChIKey is HVSFVCVLWILUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-3-17(23-9-5-8-20-23)19(25)22-12-10-21(11-13-22)18(24)15-6-4-7-16(14-15)26-2/h4-9,14,17H,3,10-13H2,1-2H3.
What are the key properties of 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one?
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one has a molecular weight of 356.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one is sourced from PubChem (CID 70763536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).