[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride

C23H32ClN5O — CID 120997698

IUPAC[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCCc1ccc(-n2nc(C(=O)N3CCC(N4CCNCC4)C3)c3c2CCC3)cc1.Cl
InChIInChI=1S/C23H31N5O.ClH/c1-2-17-6-8-18(9-7-17)28-21-5-3-4-20(21)22(25-28)23(29)27-13-10-19(16-27)26-14-11-24-12-15-26;/h6-9,19,24H,2-5,10-16H2,1H3;1H
InChIKeyYSWYJQRZUAEBNA-UHFFFAOYSA-N
MW430.00 g/mol
LogP2.46
Rot. Bonds4

About [1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride

[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 120997698) has the molecular formula C23H32ClN5O and a molecular weight of 430.00 g/mol. Its IUPAC name is [1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID120997698
Molecular FormulaC23H32ClN5O
Molecular Weight430.00 g/mol
Exact Mass429.23
IUPAC Name[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCCc1ccc(-n2nc(C(=O)N3CCC(N4CCNCC4)C3)c3c2CCC3)cc1.Cl
InChIInChI=1S/C23H31N5O.ClH/c1-2-17-6-8-18(9-7-17)28-21-5-3-4-20(21)22(25-28)23(29)27-13-10-19(16-27)26-14-11-24-12-15-26;/h6-9,19,24H,2-5,10-16H2,1H3;1H
InChIKeyYSWYJQRZUAEBNA-UHFFFAOYSA-N
XLogP2.46
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.00
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of [1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride (CID 120997698) is [1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride is CCc1ccc(-n2nc(C(=O)N3CCC(N4CCNCC4)C3)c3c2CCC3)cc1.Cl.
What is the InChIKey of [1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is YSWYJQRZUAEBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O.ClH/c1-2-17-6-8-18(9-7-17)28-21-5-3-4-20(21)22(25-28)23(29)27-13-10-19(16-27)26-14-11-24-12-15-26;/h6-9,19,24H,2-5,10-16H2,1H3;1H.
What are the key properties of [1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 430.00 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120997698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).