4-[[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2,2-dimethylbutanoic acid

C20H24FN3O3 — CID 122109202

IUPAC4-[[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2,2-dimethylbutanoic acid
SMILESCc1cccc(F)c1-n1nc(C(=O)NCCC(C)(C)C(=O)O)c2c1CCC2
InChIInChI=1S/C20H24FN3O3/c1-12-6-4-8-14(21)17(12)24-15-9-5-7-13(15)16(23-24)18(25)22-11-10-20(2,3)19(26)27/h4,6,8H,5,7,9-11H2,1-3H3,(H,22,25)(H,26,27)
InChIKeyXESAWLYRAFTSES-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.04
Rot. Bonds6

About 4-[[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2,2-dimethylbutanoic acid

4-[[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2,2-dimethylbutanoic acid (PubChem CID 122109202) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-[[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-[[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2,2-dimethylbutanoic acid
PubChem CID122109202
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name4-[[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2,2-dimethylbutanoic acid
SMILESCc1cccc(F)c1-n1nc(C(=O)NCCC(C)(C)C(=O)O)c2c1CCC2
InChIInChI=1S/C20H24FN3O3/c1-12-6-4-8-14(21)17(12)24-15-9-5-7-13(15)16(23-24)18(25)22-11-10-20(2,3)19(26)27/h4,6,8H,5,7,9-11H2,1-3H3,(H,22,25)(H,26,27)
InChIKeyXESAWLYRAFTSES-UHFFFAOYSA-N
XLogP3.04
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2,2-dimethylbutanoic acid with MolForge

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Related Compounds

4-[[1-(3-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]-2,2-dimethylbutanoic acid
CID 122109214
cis-(1S,3R)-3-[[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 122108654
3-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 122107981
2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2-methylpropanoic acid
CID 122107230
N-(3-aminopropyl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119408402
(3S)-1-[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 122107151
6-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid
CID 119219866
3-[[1-(3-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 122111289
N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30098859
5-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pentanoic acid
CID 122107817
N-[3-(methylamino)propyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119430820
1-(2-fluoro-4-methylphenyl)-N-[3-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119431145

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2,2-dimethylbutanoic acid?
The IUPAC name of 4-[[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2,2-dimethylbutanoic acid (CID 122109202) is 4-[[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-[[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-[[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2,2-dimethylbutanoic acid is Cc1cccc(F)c1-n1nc(C(=O)NCCC(C)(C)C(=O)O)c2c1CCC2.
What is the InChIKey of 4-[[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2,2-dimethylbutanoic acid?
The InChIKey is XESAWLYRAFTSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-12-6-4-8-14(21)17(12)24-15-9-5-7-13(15)16(23-24)18(25)22-11-10-20(2,3)19(26)27/h4,6,8H,5,7,9-11H2,1-3H3,(H,22,25)(H,26,27).
What are the key properties of 4-[[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2,2-dimethylbutanoic acid?
4-[[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2,2-dimethylbutanoic acid has a molecular weight of 373.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2,2-dimethylbutanoic acid is sourced from PubChem (CID 122109202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).