[1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C21H20F2N4O2 — CID 25284333

IUPAC[1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H20F2N4O2/c1-29-19-14-27(16-8-6-15(22)7-9-16)24-20(19)21(28)26-12-10-25(11-13-26)18-5-3-2-4-17(18)23/h2-9,14H,10-13H2,1H3
InChIKeyNSNSAEUUIYKOGF-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.12
Rot. Bonds4

About [1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 25284333) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID25284333
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC Name[1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H20F2N4O2/c1-29-19-14-27(16-8-6-15(22)7-9-16)24-20(19)21(28)26-12-10-25(11-13-26)18-5-3-2-4-17(18)23/h2-9,14H,10-13H2,1H3
InChIKeyNSNSAEUUIYKOGF-UHFFFAOYSA-N
XLogP3.12
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 25284333) is [1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is COc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is NSNSAEUUIYKOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c1-29-19-14-27(16-8-6-15(22)7-9-16)24-20(19)21(28)26-12-10-25(11-13-26)18-5-3-2-4-17(18)23/h2-9,14H,10-13H2,1H3.
What are the key properties of [1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 398.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-4-methoxypyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 25284333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).