[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone

C21H21FN4O2 — CID 75527345

IUPAC[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1
InChIInChI=1S/C21H21FN4O2/c1-28-19-5-3-2-4-17(19)21(27)26-12-10-25(11-13-26)20-14-18(23-24-20)15-6-8-16(22)9-7-15/h2-9,14H,10-13H2,1H3,(H,23,24)
InChIKeyQAVFWGJJVNYUGB-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.19
Rot. Bonds4

About [4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone

[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 75527345) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is [4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID75527345
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1
InChIInChI=1S/C21H21FN4O2/c1-28-19-5-3-2-4-17(19)21(27)26-12-10-25(11-13-26)20-14-18(23-24-20)15-6-8-16(22)9-7-15/h2-9,14H,10-13H2,1H3,(H,23,24)
InChIKeyQAVFWGJJVNYUGB-UHFFFAOYSA-N
XLogP3.19
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone (CID 75527345) is [4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1.
What is the InChIKey of [4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is QAVFWGJJVNYUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-28-19-5-3-2-4-17(19)21(27)26-12-10-25(11-13-26)20-14-18(23-24-20)15-6-8-16(22)9-7-15/h2-9,14H,10-13H2,1H3,(H,23,24).
What are the key properties of [4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 380.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 75527345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).