[4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

C23H20FN5O3 — CID 20915398

IUPAC[4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)CC1
InChIInChI=1S/C23H20FN5O3/c24-17-5-7-18(8-6-17)29-21(26-9-1-2-10-26)19(16-25-29)22(30)27-11-13-28(14-12-27)23(31)20-4-3-15-32-20/h1-10,15-16H,11-14H2
InChIKeyREKNAIVQVVOZRI-UHFFFAOYSA-N
MW433.44 g/mol
LogP2.99
Rot. Bonds4

About [4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 20915398) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 g/mol. Its IUPAC name is [4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID20915398
Molecular FormulaC23H20FN5O3
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC Name[4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)CC1
InChIInChI=1S/C23H20FN5O3/c24-17-5-7-18(8-6-17)29-21(26-9-1-2-10-26)19(16-25-29)22(30)27-11-13-28(14-12-27)23(31)20-4-3-15-32-20/h1-10,15-16H,11-14H2
InChIKeyREKNAIVQVVOZRI-UHFFFAOYSA-N
XLogP2.99
TPSA76.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 20915398) is [4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)CC1.
What is the InChIKey of [4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is REKNAIVQVVOZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3/c24-17-5-7-18(8-6-17)29-21(26-9-1-2-10-26)19(16-25-29)22(30)27-11-13-28(14-12-27)23(31)20-4-3-15-32-20/h1-10,15-16H,11-14H2.
What are the key properties of [4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 433.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 20915398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).