4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-2-one

C18H20N4O2 — CID 37002063

IUPAC4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-2-one
SMILESCc1ccc(-n2nc(C(=O)N3CCNC(=O)C3)c3c2CCC3)cc1
InChIInChI=1S/C18H20N4O2/c1-12-5-7-13(8-6-12)22-15-4-2-3-14(15)17(20-22)18(24)21-10-9-19-16(23)11-21/h5-8H,2-4,9-11H2,1H3,(H,19,23)
InChIKeyDXNXDPXUVFTYPX-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.24
Rot. Bonds2

About 4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-2-one

4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-2-one (PubChem CID 37002063) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-2-one
PubChem CID37002063
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-2-one
SMILESCc1ccc(-n2nc(C(=O)N3CCNC(=O)C3)c3c2CCC3)cc1
InChIInChI=1S/C18H20N4O2/c1-12-5-7-13(8-6-12)22-15-4-2-3-14(15)17(20-22)18(24)21-10-9-19-16(23)11-21/h5-8H,2-4,9-11H2,1H3,(H,19,23)
InChIKeyDXNXDPXUVFTYPX-UHFFFAOYSA-N
XLogP1.24
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-2-one
CID 25470523
1-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 119166353
[4-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 119559896
[4-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
CID 119559895
(3aR,6aS)-5-[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 128596945
1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16776357
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 119638268
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
CID 120820092
[4-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 119545856
[1-(4-bromophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400755
(3-methylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 119577575
(2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone;hydrochloride
CID 120571447

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-2-one?
The IUPAC name of 4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-2-one (CID 37002063) is 4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-2-one is Cc1ccc(-n2nc(C(=O)N3CCNC(=O)C3)c3c2CCC3)cc1.
What is the InChIKey of 4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-2-one?
The InChIKey is DXNXDPXUVFTYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-5-7-13(8-6-12)22-15-4-2-3-14(15)17(20-22)18(24)21-10-9-19-16(23)11-21/h5-8H,2-4,9-11H2,1H3,(H,19,23).
What are the key properties of 4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-2-one?
4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-2-one has a molecular weight of 324.38 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 37002063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).