3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid

C19H22FN3O3 — CID 119207081

IUPAC3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)c1nn(-c2ccccc2F)c2c1CCC2
InChIInChI=1S/C19H22FN3O3/c1-12(2)22(11-10-17(24)25)19(26)18-13-6-5-9-15(13)23(21-18)16-8-4-3-7-14(16)20/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,24,25)
InChIKeyIXLPSFKLZRAKEN-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.83
Rot. Bonds6

About 3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid

3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid (PubChem CID 119207081) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid
PubChem CID119207081
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)c1nn(-c2ccccc2F)c2c1CCC2
InChIInChI=1S/C19H22FN3O3/c1-12(2)22(11-10-17(24)25)19(26)18-13-6-5-9-15(13)23(21-18)16-8-4-3-7-14(16)20/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,24,25)
InChIKeyIXLPSFKLZRAKEN-UHFFFAOYSA-N
XLogP2.83
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid with MolForge

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Related Compounds

US9605005, Example 199
CID 117923524
US9605005, Example 145
CID 117912041
US9605005, Example 119
CID 117923556
5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134800993
5-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134801048
5-[[1-[(4-fluorophenyl)methyl]azetidin-3-yl]methyl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134801176
4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134801283
5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-methyl-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134801429
5-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]-3-methyl-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134801778
5-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-methyl-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134801906
3,4-dimethyl-1-phenyl-5-[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134801958
5-[1-(2-fluorobenzoyl)piperidin-3-yl]-3-methyl-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134802016

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid (CID 119207081) is 3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)c1nn(-c2ccccc2F)c2c1CCC2.
What is the InChIKey of 3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid?
The InChIKey is IXLPSFKLZRAKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-12(2)22(11-10-17(24)25)19(26)18-13-6-5-9-15(13)23(21-18)16-8-4-3-7-14(16)20/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,24,25).
What are the key properties of 3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid?
3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid has a molecular weight of 359.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 119207081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).