1-[4-[3-[3-(fluoromethoxy)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine

C21H23FN4O — CID 153409935

IUPAC1-[4-[3-[3-(fluoromethoxy)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(-c3cc(-c4cccc(OCF)c4)n[nH]3)cc2)CC1
InChIInChI=1S/C21H23FN4O/c1-25-9-11-26(12-10-25)18-7-5-16(6-8-18)20-14-21(24-23-20)17-3-2-4-19(13-17)27-15-22/h2-8,13-14H,9-12,15H2,1H3,(H,23,24)
InChIKeyJIQMNIDJVVATCB-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.80
Rot. Bonds5

About 1-[4-[3-[3-(fluoromethoxy)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine

1-[4-[3-[3-(fluoromethoxy)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine (PubChem CID 153409935) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[4-[3-[3-(fluoromethoxy)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-[3-[3-(fluoromethoxy)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine
PubChem CID153409935
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name1-[4-[3-[3-(fluoromethoxy)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine
SMILESCN1CCN(c2ccc(-c3cc(-c4cccc(OCF)c4)n[nH]3)cc2)CC1
InChIInChI=1S/C21H23FN4O/c1-25-9-11-26(12-10-25)18-7-5-16(6-8-18)20-14-21(24-23-20)17-3-2-4-19(13-17)27-15-22/h2-8,13-14H,9-12,15H2,1H3,(H,23,24)
InChIKeyJIQMNIDJVVATCB-UHFFFAOYSA-N
XLogP3.80
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[3-(fluoromethoxy)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine?
The IUPAC name of 1-[4-[3-[3-(fluoromethoxy)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine (CID 153409935) is 1-[4-[3-[3-(fluoromethoxy)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-[3-[3-(fluoromethoxy)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[4-[3-[3-(fluoromethoxy)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine is CN1CCN(c2ccc(-c3cc(-c4cccc(OCF)c4)n[nH]3)cc2)CC1.
What is the InChIKey of 1-[4-[3-[3-(fluoromethoxy)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine?
The InChIKey is JIQMNIDJVVATCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-25-9-11-26(12-10-25)18-7-5-16(6-8-18)20-14-21(24-23-20)17-3-2-4-19(13-17)27-15-22/h2-8,13-14H,9-12,15H2,1H3,(H,23,24).
What are the key properties of 1-[4-[3-[3-(fluoromethoxy)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine?
1-[4-[3-[3-(fluoromethoxy)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine has a molecular weight of 366.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[3-(fluoromethoxy)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine is sourced from PubChem (CID 153409935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).