(2,3-dimethylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone

C19H24N4O — CID 120569634

IUPAC(2,3-dimethylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
SMILESCC1NCCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)C1C
InChIInChI=1S/C19H24N4O/c1-13-14(2)22(12-11-20-13)19(24)18-16-9-6-10-17(16)23(21-18)15-7-4-3-5-8-15/h3-5,7-8,13-14,20H,6,9-12H2,1-2H3
InChIKeyBGOIXNPYIYGQHZ-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.18
Rot. Bonds2

About (2,3-dimethylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone

(2,3-dimethylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone (PubChem CID 120569634) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
PubChem CID120569634
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(2,3-dimethylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
SMILESCC1NCCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)C1C
InChIInChI=1S/C19H24N4O/c1-13-14(2)22(12-11-20-13)19(24)18-16-9-6-10-17(16)23(21-18)15-7-4-3-5-8-15/h3-5,7-8,13-14,20H,6,9-12H2,1-2H3
InChIKeyBGOIXNPYIYGQHZ-UHFFFAOYSA-N
XLogP2.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone;hydrochloride
CID 120571447
[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120570502
(3-methylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 119577575
[4-(methylamino)piperidin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 119560961
phenyl-[4-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 46680389
[(2S)-2-methylmorpholin-4-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 51448540
(3S,4S)-4-methyl-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952050
(4-aminopiperidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone;hydrochloride
CID 119373981
(2,3-dimethylpiperazin-1-yl)-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
CID 120569446
(2S)-N-cyclopropyl-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 51727331
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 120657503
(4-hydroxy-2-phenylpyrrolidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 154736556

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone (CID 120569634) is (2,3-dimethylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone is CC1NCCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)C1C.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone?
The InChIKey is BGOIXNPYIYGQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13-14(2)22(12-11-20-13)19(24)18-16-9-6-10-17(16)23(21-18)15-7-4-3-5-8-15/h3-5,7-8,13-14,20H,6,9-12H2,1-2H3.
What are the key properties of (2,3-dimethylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone?
(2,3-dimethylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone has a molecular weight of 324.43 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone is sourced from PubChem (CID 120569634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).