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

C18H18FN3O4 — CID 119216827

IUPAC4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C18H18FN3O4/c19-11-4-6-12(7-5-11)22-14-3-1-2-13(14)16(20-22)17(23)21-8-9-26-10-15(21)18(24)25/h4-7,15H,1-3,8-10H2,(H,24,25)
InChIKeyFBBDRSGKLBZAQW-UHFFFAOYSA-N
MW359.36 g/mol
LogP1.43
Rot. Bonds3

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

4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-3-carboxylic acid (PubChem CID 119216827) has the molecular formula C18H18FN3O4 and a molecular weight of 359.36 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-3-carboxylic acid
PubChem CID119216827
Molecular FormulaC18H18FN3O4
Molecular Weight359.36 g/mol
Exact Mass359.13
IUPAC Name4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C18H18FN3O4/c19-11-4-6-12(7-5-11)22-14-3-1-2-13(14)16(20-22)17(23)21-8-9-26-10-15(21)18(24)25/h4-7,15H,1-3,8-10H2,(H,24,25)
InChIKeyFBBDRSGKLBZAQW-UHFFFAOYSA-N
XLogP1.43
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 119113579
1-[4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 24671541
[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30906678
(3,3-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 55984183
1-[1-(3-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 122108873
1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-2-carboxylic acid
CID 119176180
2-[4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 119248759
[2-(4-fluorophenyl)pyrrolidin-1-yl]-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 55597209
1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909078
N-cyclopropyl-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18136479
[(2R,4R)-4-amino-2-phenylpyrrolidin-1-yl]-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 166243193
2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]acetic acid
CID 119172389

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-3-carboxylic acid (CID 119216827) is 4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2.
What is the InChIKey of 4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is FBBDRSGKLBZAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4/c19-11-4-6-12(7-5-11)22-14-3-1-2-13(14)16(20-22)17(23)21-8-9-26-10-15(21)18(24)25/h4-7,15H,1-3,8-10H2,(H,24,25).
What are the key properties of 4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-3-carboxylic acid?
4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 359.36 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).