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

C20H19FN4O3 — CID 18137563

IUPAC1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)NCc1ccco1
InChIInChI=1S/C20H19FN4O3/c21-13-6-8-14(9-7-13)25-17-5-1-4-16(17)19(24-25)20(27)23-12-18(26)22-11-15-3-2-10-28-15/h2-3,6-10H,1,4-5,11-12H2,(H,22,26)(H,23,27)
InChIKeyYVSDEZFIJCCBSJ-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.14
Rot. Bonds6

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

1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 18137563) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID18137563
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)NCc1ccco1
InChIInChI=1S/C20H19FN4O3/c21-13-6-8-14(9-7-13)25-17-5-1-4-16(17)19(24-25)20(27)23-12-18(26)22-11-15-3-2-10-28-15/h2-3,6-10H,1,4-5,11-12H2,(H,22,26)(H,23,27)
InChIKeyYVSDEZFIJCCBSJ-UHFFFAOYSA-N
XLogP2.14
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
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]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 18137563) is 1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-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]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is O=C(CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)NCc1ccco1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is YVSDEZFIJCCBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c21-13-6-8-14(9-7-13)25-17-5-1-4-16(17)19(24-25)20(27)23-12-18(26)22-11-15-3-2-10-28-15/h2-3,6-10H,1,4-5,11-12H2,(H,22,26)(H,23,27).
What are the key properties of 1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 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]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 18137563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).