2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

C22H30N4O2 — CID 128950944

IUPAC2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESO=C(C1CCCCC1)N1CCN(CC(=O)N2CCC(c3ccccc3)=N2)CC1
InChIInChI=1S/C22H30N4O2/c27-21(26-12-11-20(23-26)18-7-3-1-4-8-18)17-24-13-15-25(16-14-24)22(28)19-9-5-2-6-10-19/h1,3-4,7-8,19H,2,5-6,9-17H2
InChIKeyCAULDRIWJDFWBG-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.35
Rot. Bonds4

About 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 128950944) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID128950944
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESO=C(C1CCCCC1)N1CCN(CC(=O)N2CCC(c3ccccc3)=N2)CC1
InChIInChI=1S/C22H30N4O2/c27-21(26-12-11-20(23-26)18-7-3-1-4-8-18)17-24-13-15-25(16-14-24)22(28)19-9-5-2-6-10-19/h1,3-4,7-8,19H,2,5-6,9-17H2
InChIKeyCAULDRIWJDFWBG-UHFFFAOYSA-N
XLogP2.35
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,4-diazepan-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 31313586
1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
CID 55717934
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 134043102
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylethanone
CID 110366202
N'-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]cyclopentanecarboximidamide
CID 126816766
4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1-phenylpiperazin-2-one
CID 139004696
N-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18108648
N-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18106168
2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 9135747
2-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 37301071
2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 95327926
2-(4-methyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]anilino)-1-piperidin-1-ylethanone
CID 86906124

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (CID 128950944) is 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is O=C(C1CCCCC1)N1CCN(CC(=O)N2CCC(c3ccccc3)=N2)CC1.
What is the InChIKey of 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is CAULDRIWJDFWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c27-21(26-12-11-20(23-26)18-7-3-1-4-8-18)17-24-13-15-25(16-14-24)22(28)19-9-5-2-6-10-19/h1,3-4,7-8,19H,2,5-6,9-17H2.
What are the key properties of 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 382.51 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 128950944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).