1-[2-[4-(5-fluoronaphthalen-1-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid

C23H23FN4O3 — CID 146597793

IUPAC1-[2-[4-(5-fluoronaphthalen-1-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(CC(=O)N2CCN(c3cccc4c(F)cccc34)CC2)c2c1CCC2
InChIInChI=1S/C23H23FN4O3/c24-18-7-1-5-16-15(18)4-2-8-19(16)26-10-12-27(13-11-26)21(29)14-28-20-9-3-6-17(20)22(25-28)23(30)31/h1-2,4-5,7-8H,3,6,9-14H2,(H,30,31)
InChIKeyDVJPYYXAFDQUIP-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.71
Rot. Bonds4

About 1-[2-[4-(5-fluoronaphthalen-1-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid

1-[2-[4-(5-fluoronaphthalen-1-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid (PubChem CID 146597793) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 1-[2-[4-(5-fluoronaphthalen-1-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(5-fluoronaphthalen-1-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
PubChem CID146597793
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name1-[2-[4-(5-fluoronaphthalen-1-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(CC(=O)N2CCN(c3cccc4c(F)cccc34)CC2)c2c1CCC2
InChIInChI=1S/C23H23FN4O3/c24-18-7-1-5-16-15(18)4-2-8-19(16)26-10-12-27(13-11-26)21(29)14-28-20-9-3-6-17(20)22(25-28)23(30)31/h1-2,4-5,7-8H,3,6,9-14H2,(H,30,31)
InChIKeyDVJPYYXAFDQUIP-UHFFFAOYSA-N
XLogP2.71
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-[1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoethyl]carbamic acid
CID 146597847
2-[3-(2,2-difluoro-6-azaspiro[2.5]octane-6-carbonyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 166572831
2-[3-[(4S)-4-amino-3,3-difluoropiperidine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 166573068
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[3-(4-methylsulfonylpiperazine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 166572849
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[3-(4-hydroxyazepane-1-carbonyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 166573046
2-[3-[4-(aminomethyl)-4-methylpiperidine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 166573034
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[3-[4-(fluoromethyl)-4-hydroxypiperidine-1-carbonyl]-4,5,6,7-tetrahydroindazol-1-yl]ethanone
CID 166572949
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[3-[(3R,4S)-4-hydroxy-3-methylpiperidine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 166573117
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[3-(5-hydroxy-2-azabicyclo[2.2.2]octane-2-carbonyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 146644736
ethyl 1-[2-[4-(3-chloro-4-fluoro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 146597787
1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-[3-[4-(fluoromethyl)-4-hydroxypiperidine-1-carbonyl]-4,5,6,7-tetrahydroindazol-1-yl]ethanone
CID 166573039
2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(4-fluoro-2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 166572886

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(5-fluoronaphthalen-1-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-[4-(5-fluoronaphthalen-1-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid (CID 146597793) is 1-[2-[4-(5-fluoronaphthalen-1-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(5-fluoronaphthalen-1-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-[4-(5-fluoronaphthalen-1-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid is O=C(O)c1nn(CC(=O)N2CCN(c3cccc4c(F)cccc34)CC2)c2c1CCC2.
What is the InChIKey of 1-[2-[4-(5-fluoronaphthalen-1-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
The InChIKey is DVJPYYXAFDQUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c24-18-7-1-5-16-15(18)4-2-8-19(16)26-10-12-27(13-11-26)21(29)14-28-20-9-3-6-17(20)22(25-28)23(30)31/h1-2,4-5,7-8H,3,6,9-14H2,(H,30,31).
What are the key properties of 1-[2-[4-(5-fluoronaphthalen-1-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
1-[2-[4-(5-fluoronaphthalen-1-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid has a molecular weight of 422.46 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(5-fluoronaphthalen-1-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid is sourced from PubChem (CID 146597793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).