5-[4-(2-methylpropyl)piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one

C18H24N4O2 — CID 166390984

IUPAC5-[4-(2-methylpropyl)piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one
SMILESCC(C)CN1CCN(C(=O)c2cc(=O)n(-c3ccccc3)[nH]2)CC1
InChIInChI=1S/C18H24N4O2/c1-14(2)13-20-8-10-21(11-9-20)18(24)16-12-17(23)22(19-16)15-6-4-3-5-7-15/h3-7,12,14,19H,8-11,13H2,1-2H3
InChIKeyXWKIJPUTTSHXRK-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.58
Rot. Bonds4

About 5-[4-(2-methylpropyl)piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one

5-[4-(2-methylpropyl)piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one (PubChem CID 166390984) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-[4-(2-methylpropyl)piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-[4-(2-methylpropyl)piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one
PubChem CID166390984
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-[4-(2-methylpropyl)piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one
SMILESCC(C)CN1CCN(C(=O)c2cc(=O)n(-c3ccccc3)[nH]2)CC1
InChIInChI=1S/C18H24N4O2/c1-14(2)13-20-8-10-21(11-9-20)18(24)16-12-17(23)22(19-16)15-6-4-3-5-7-15/h3-7,12,14,19H,8-11,13H2,1-2H3
InChIKeyXWKIJPUTTSHXRK-UHFFFAOYSA-N
XLogP1.58
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(2-methylpropyl)piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one
CID 91792457
[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 70229346
5-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one
CID 155912436
3-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one
CID 103336925
2-[2-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrol-1-yl]acetic acid
CID 79322304
(5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034137
5-methyl-3-[4-(2-methylpropyl)-1,4-diazepane-1-carbonyl]-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 71876318
5-(3-methyl-2-oxobutyl)-2-phenyl-1H-pyrazol-3-one
CID 70931304
5-[4-(methylaminomethyl)piperidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 119546367
(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034136
1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63717494
(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 4740722

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylpropyl)piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 5-[4-(2-methylpropyl)piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one (CID 166390984) is 5-[4-(2-methylpropyl)piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-[4-(2-methylpropyl)piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-[4-(2-methylpropyl)piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one is CC(C)CN1CCN(C(=O)c2cc(=O)n(-c3ccccc3)[nH]2)CC1.
What is the InChIKey of 5-[4-(2-methylpropyl)piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one?
The InChIKey is XWKIJPUTTSHXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(2)13-20-8-10-21(11-9-20)18(24)16-12-17(23)22(19-16)15-6-4-3-5-7-15/h3-7,12,14,19H,8-11,13H2,1-2H3.
What are the key properties of 5-[4-(2-methylpropyl)piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one?
5-[4-(2-methylpropyl)piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one has a molecular weight of 328.42 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylpropyl)piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 166390984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).