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

C15H14FN3O3 — CID 122107107

IUPAC2-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1nn(-c2cccc(F)c2)c2c1CCC2
InChIInChI=1S/C15H14FN3O3/c16-9-3-1-4-10(7-9)19-12-6-2-5-11(12)14(18-19)15(22)17-8-13(20)21/h1,3-4,7H,2,5-6,8H2,(H,17,22)(H,20,21)
InChIKeyDCVNORJGYBSHCH-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.31
Rot. Bonds4

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

2-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid (PubChem CID 122107107) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid
PubChem CID122107107
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name2-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1nn(-c2cccc(F)c2)c2c1CCC2
InChIInChI=1S/C15H14FN3O3/c16-9-3-1-4-10(7-9)19-12-6-2-5-11(12)14(18-19)15(22)17-8-13(20)21/h1,3-4,7H,2,5-6,8H2,(H,17,22)(H,20,21)
InChIKeyDCVNORJGYBSHCH-UHFFFAOYSA-N
XLogP1.31
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid (CID 122107107) is 2-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1nn(-c2cccc(F)c2)c2c1CCC2.
What is the InChIKey of 2-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid?
The InChIKey is DCVNORJGYBSHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-9-3-1-4-10(7-9)19-12-6-2-5-11(12)14(18-19)15(22)17-8-13(20)21/h1,3-4,7H,2,5-6,8H2,(H,17,22)(H,20,21).
What are the key properties of 2-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid?
2-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid has a molecular weight of 303.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 122107107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).