[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate

C21H21FN4O4 — CID 55646700

IUPAC[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
SMILESO=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C21H21FN4O4/c22-17-4-1-2-5-18(17)24-10-12-25(13-11-24)20(27)15-29-21(28)19-7-6-16(30-19)14-26-9-3-8-23-26/h1-9H,10-15H2
InChIKeyFMTHGVZGRDEDKK-UHFFFAOYSA-N
MW412.42 g/mol
LogP2.17
Rot. Bonds6

About [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate

[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate (PubChem CID 55646700) has the molecular formula C21H21FN4O4 and a molecular weight of 412.42 g/mol. Its IUPAC name is [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
PubChem CID55646700
Molecular FormulaC21H21FN4O4
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC Name[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
SMILESO=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C21H21FN4O4/c22-17-4-1-2-5-18(17)24-10-12-25(13-11-24)20(27)15-29-21(28)19-7-6-16(30-19)14-26-9-3-8-23-26/h1-9H,10-15H2
InChIKeyFMTHGVZGRDEDKK-UHFFFAOYSA-N
XLogP2.17
TPSA80.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 19327362
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 50926041
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 55397391
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2,5-difluorobenzoate
CID 46925039
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate
CID 55400423
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646764
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 9483558
1-[4-[5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]furan-2-carbonyl]piperazin-1-yl]ethanone
CID 46043392
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646699
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(R)-ethylsulfinyl]benzoate
CID 11924450
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
CID 7328592
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 9344744

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The IUPAC name of [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate (CID 55646700) is [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate.
What is the SMILES notation for [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The canonical SMILES for [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate is O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(Cn2cccn2)o1.
What is the InChIKey of [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The InChIKey is FMTHGVZGRDEDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O4/c22-17-4-1-2-5-18(17)24-10-12-25(13-11-24)20(27)15-29-21(28)19-7-6-16(30-19)14-26-9-3-8-23-26/h1-9H,10-15H2.
What are the key properties of [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate has a molecular weight of 412.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate is sourced from PubChem (CID 55646700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).