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

C19H21F2N3O3 — CID 122108526

IUPAC2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2)C(=O)O
InChIInChI=1S/C19H21F2N3O3/c1-2-3-8-13(19(26)27)22-18(25)17-11-6-4-9-14(11)24(23-17)15-10-5-7-12(20)16(15)21/h5,7,10,13H,2-4,6,8-9H2,1H3,(H,22,25)(H,26,27)
InChIKeyCFPGONKGOUSTHQ-UHFFFAOYSA-N
MW377.39 g/mol
LogP3.01
Rot. Bonds7

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

2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid (PubChem CID 122108526) has the molecular formula C19H21F2N3O3 and a molecular weight of 377.39 g/mol. Its IUPAC name is 2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid
PubChem CID122108526
Molecular FormulaC19H21F2N3O3
Molecular Weight377.39 g/mol
Exact Mass377.16
IUPAC Name2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2)C(=O)O
InChIInChI=1S/C19H21F2N3O3/c1-2-3-8-13(19(26)27)22-18(25)17-11-6-4-9-14(11)24(23-17)15-10-5-7-12(20)16(15)21/h5,7,10,13H,2-4,6,8-9H2,1H3,(H,22,25)(H,26,27)
InChIKeyCFPGONKGOUSTHQ-UHFFFAOYSA-N
XLogP3.01
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-methoxypropanoic acid
CID 122108940
2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2-methylpropanoic acid
CID 122107230
1-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 122108114
N-(1-aminohexan-2-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119668203
1-(2-fluorophenyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46451658
2-[[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]butanoic acid
CID 119223631
N'-(4-ethylbenzoyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 55687781
N-(2-ethylphenyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39297108
1-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-3-methylpiperidine-3-carboxylic acid
CID 122109451
(2R)-3-methyl-2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]butanoic acid
CID 119368106
(2S)-2-[[1-(2-fluorophenyl)pyrazole-4-carbonyl]amino]heptanoic acid
CID 99781228
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46451869

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid?
The IUPAC name of 2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid (CID 122108526) is 2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid?
The canonical SMILES for 2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid is CCCCC(NC(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2)C(=O)O.
What is the InChIKey of 2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid?
The InChIKey is CFPGONKGOUSTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3/c1-2-3-8-13(19(26)27)22-18(25)17-11-6-4-9-14(11)24(23-17)15-10-5-7-12(20)16(15)21/h5,7,10,13H,2-4,6,8-9H2,1H3,(H,22,25)(H,26,27).
What are the key properties of 2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid?
2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid has a molecular weight of 377.39 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 122108526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).