1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone

C18H26N4O — CID 91206100

IUPAC1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(CC(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C18H26N4O/c1-15(2)21-12-10-20(11-13-21)14-18(23)22-17(8-9-19-22)16-6-4-3-5-7-16/h3-7,9,15,17H,8,10-14H2,1-2H3
InChIKeyLRFQNPVUPOOTOM-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.97
Rot. Bonds4

About 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone

1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 91206100) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID91206100
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(CC(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C18H26N4O/c1-15(2)21-12-10-20(11-13-21)14-18(23)22-17(8-9-19-22)16-6-4-3-5-7-16/h3-7,9,15,17H,8,10-14H2,1-2H3
InChIKeyLRFQNPVUPOOTOM-UHFFFAOYSA-N
XLogP1.97
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 91206100) is 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)N1CCN(CC(=O)N2N=CCC2c2ccccc2)CC1.
What is the InChIKey of 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is LRFQNPVUPOOTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-15(2)21-12-10-20(11-13-21)14-18(23)22-17(8-9-19-22)16-6-4-3-5-7-16/h3-7,9,15,17H,8,10-14H2,1-2H3.
What are the key properties of 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone?
1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 314.43 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 91206100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).