(6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid

C15H10FN3O3 — CID 170733168

IUPAC(6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid
SMILESO=C1Nc2ccc(F)cc2/C1=C1\CCc2c1n[nH]c2C(=O)O
InChIInChI=1S/C15H10FN3O3/c16-6-1-4-10-9(5-6)11(14(20)17-10)7-2-3-8-12(7)18-19-13(8)15(21)22/h1,4-5H,2-3H2,(H,17,20)(H,18,19)(H,21,22)/b11-7-
InChIKeySIMGVNAEFLFMJB-XFFZJAGNSA-N
MW299.26 g/mol
LogP2.06
Rot. Bonds1

About (6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid

(6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid (PubChem CID 170733168) has the molecular formula C15H10FN3O3 and a molecular weight of 299.26 g/mol. Its IUPAC name is (6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name(6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid
PubChem CID170733168
Molecular FormulaC15H10FN3O3
Molecular Weight299.26 g/mol
Exact Mass299.07
IUPAC Name(6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid
SMILESO=C1Nc2ccc(F)cc2/C1=C1\CCc2c1n[nH]c2C(=O)O
InChIInChI=1S/C15H10FN3O3/c16-6-1-4-10-9(5-6)11(14(20)17-10)7-2-3-8-12(7)18-19-13(8)15(21)22/h1,4-5H,2-3H2,(H,17,20)(H,18,19)(H,21,22)/b11-7-
InChIKeySIMGVNAEFLFMJB-XFFZJAGNSA-N
XLogP2.06
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid?
The IUPAC name of (6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid (CID 170733168) is (6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid.
What is the SMILES notation for (6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid?
The canonical SMILES for (6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid is O=C1Nc2ccc(F)cc2/C1=C1\CCc2c1n[nH]c2C(=O)O.
What is the InChIKey of (6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid?
The InChIKey is SIMGVNAEFLFMJB-XFFZJAGNSA-N. The full InChI is InChI=1S/C15H10FN3O3/c16-6-1-4-10-9(5-6)11(14(20)17-10)7-2-3-8-12(7)18-19-13(8)15(21)22/h1,4-5H,2-3H2,(H,17,20)(H,18,19)(H,21,22)/b11-7-.
What are the key properties of (6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid?
(6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid has a molecular weight of 299.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(5-fluoro-2-oxo-1H-indol-3-ylidene)-4,5-dihydro-2H-cyclopenta[c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 170733168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).