1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid

C21H25N3O4 — CID 119251712

IUPAC1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESCCc1ccc(-n2nc(C(=O)N3CCC(O)(C(=O)O)CC3)c3c2CCC3)cc1
InChIInChI=1S/C21H25N3O4/c1-2-14-6-8-15(9-7-14)24-17-5-3-4-16(17)18(22-24)19(25)23-12-10-21(28,11-13-23)20(26)27/h6-9,28H,2-5,10-13H2,1H3,(H,26,27)
InChIKeyCXFSSHADLLFDTO-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.98
Rot. Bonds4

About 1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid

1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251712) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251712
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESCCc1ccc(-n2nc(C(=O)N3CCC(O)(C(=O)O)CC3)c3c2CCC3)cc1
InChIInChI=1S/C21H25N3O4/c1-2-14-6-8-15(9-7-14)24-17-5-3-4-16(17)18(22-24)19(25)23-12-10-21(28,11-13-23)20(26)27/h6-9,28H,2-5,10-13H2,1H3,(H,26,27)
InChIKeyCXFSSHADLLFDTO-UHFFFAOYSA-N
XLogP1.98
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid with MolForge

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Related Compounds

[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560090
[4-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 86899474
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488015
1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-2-carboxylic acid
CID 119176180
2-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid
CID 119171571
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997698
[2-(aminomethyl)piperidin-1-yl]-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
CID 119466464
2,2-dimethyl-1-[4-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 55774855
phenyl-[4-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 46680389
(4-hydroxypiperidin-1-yl)-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)methanone
CID 110895194
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470277
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119648885

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid (CID 119251712) is 1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid is CCc1ccc(-n2nc(C(=O)N3CCC(O)(C(=O)O)CC3)c3c2CCC3)cc1.
What is the InChIKey of 1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is CXFSSHADLLFDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-2-14-6-8-15(9-7-14)24-17-5-3-4-16(17)18(22-24)19(25)23-12-10-21(28,11-13-23)20(26)27/h6-9,28H,2-5,10-13H2,1H3,(H,26,27).
What are the key properties of 1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 383.45 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).