1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-2-carboxylic acid

C21H25N3O3 — CID 119176180

IUPAC1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-2-carboxylic acid
SMILESCCc1ccc(-n2nc(C(=O)N3CCCCC3C(=O)O)c3c2CCC3)cc1
InChIInChI=1S/C21H25N3O3/c1-2-14-9-11-15(12-10-14)24-17-8-5-6-16(17)19(22-24)20(25)23-13-4-3-7-18(23)21(26)27/h9-12,18H,2-8,13H2,1H3,(H,26,27)
InChIKeyHOWGUCLNMATMAP-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.00
Rot. Bonds4

About 1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-2-carboxylic acid

1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-2-carboxylic acid (PubChem CID 119176180) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-2-carboxylic acid
PubChem CID119176180
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-2-carboxylic acid
SMILESCCc1ccc(-n2nc(C(=O)N3CCCCC3C(=O)O)c3c2CCC3)cc1
InChIInChI=1S/C21H25N3O3/c1-2-14-9-11-15(12-10-14)24-17-8-5-6-16(17)19(22-24)20(25)23-13-4-3-7-18(23)21(26)27/h9-12,18H,2-8,13H2,1H3,(H,26,27)
InChIKeyHOWGUCLNMATMAP-UHFFFAOYSA-N
XLogP3.00
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-2-carboxylic acid with MolForge

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
CID 119466464
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119648885
cis-(1S,3R)-3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676099
1-[1-(3-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 122108873
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470277
4-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230031
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560090
1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251712
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-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488015
[4-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 86899474
4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-3-carboxylic acid
CID 119216827

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-2-carboxylic acid (CID 119176180) is 1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-2-carboxylic acid is CCc1ccc(-n2nc(C(=O)N3CCCCC3C(=O)O)c3c2CCC3)cc1.
What is the InChIKey of 1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is HOWGUCLNMATMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-14-9-11-15(12-10-14)24-17-8-5-6-16(17)19(22-24)20(25)23-13-4-3-7-18(23)21(26)27/h9-12,18H,2-8,13H2,1H3,(H,26,27).
What are the key properties of 1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-2-carboxylic acid?
1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 367.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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]piperidine-2-carboxylic acid is sourced from PubChem (CID 119176180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).