1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C21H21FN4O3 — CID 24638829

IUPAC1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C21H21FN4O3/c1-25(13-19(27)23-12-16-4-3-11-29-16)21(28)20-17-5-2-6-18(17)26(24-20)15-9-7-14(22)8-10-15/h3-4,7-11H,2,5-6,12-13H2,1H3,(H,23,27)
InChIKeyZYDKAWLQOLHLGO-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.48
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 24638829) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID24638829
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C21H21FN4O3/c1-25(13-19(27)23-12-16-4-3-11-29-16)21(28)20-17-5-2-6-18(17)26(24-20)15-9-7-14(22)8-10-15/h3-4,7-11H,2,5-6,12-13H2,1H3,(H,23,27)
InChIKeyZYDKAWLQOLHLGO-UHFFFAOYSA-N
XLogP2.48
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 24638829) is 1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CN(CC(=O)NCc1ccco1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is ZYDKAWLQOLHLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-25(13-19(27)23-12-16-4-3-11-29-16)21(28)20-17-5-2-6-18(17)26(24-20)15-9-7-14(22)8-10-15/h3-4,7-11H,2,5-6,12-13H2,1H3,(H,23,27).
What are the key properties of 1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 24638829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).