1-[4-[5-(2-fluoro-6-methoxyphenyl)pyrazol-1-yl]phenyl]-4-methylpiperazine

C21H23FN4O — CID 153409932

IUPAC1-[4-[5-(2-fluoro-6-methoxyphenyl)pyrazol-1-yl]phenyl]-4-methylpiperazine
SMILESCOc1cccc(F)c1-c1ccnn1-c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C21H23FN4O/c1-24-12-14-25(15-13-24)16-6-8-17(9-7-16)26-19(10-11-23-26)21-18(22)4-3-5-20(21)27-2/h3-11H,12-15H2,1-2H3
InChIKeyQWPNAKYRWDFIRO-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.44
Rot. Bonds4

About 1-[4-[5-(2-fluoro-6-methoxyphenyl)pyrazol-1-yl]phenyl]-4-methylpiperazine

1-[4-[5-(2-fluoro-6-methoxyphenyl)pyrazol-1-yl]phenyl]-4-methylpiperazine (PubChem CID 153409932) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[4-[5-(2-fluoro-6-methoxyphenyl)pyrazol-1-yl]phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-[5-(2-fluoro-6-methoxyphenyl)pyrazol-1-yl]phenyl]-4-methylpiperazine
PubChem CID153409932
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name1-[4-[5-(2-fluoro-6-methoxyphenyl)pyrazol-1-yl]phenyl]-4-methylpiperazine
SMILESCOc1cccc(F)c1-c1ccnn1-c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C21H23FN4O/c1-24-12-14-25(15-13-24)16-6-8-17(9-7-16)26-19(10-11-23-26)21-18(22)4-3-5-20(21)27-2/h3-11H,12-15H2,1-2H3
InChIKeyQWPNAKYRWDFIRO-UHFFFAOYSA-N
XLogP3.44
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2-fluoro-6-methoxyphenyl)pyrazol-1-yl]phenyl]-4-methylpiperazine?
The IUPAC name of 1-[4-[5-(2-fluoro-6-methoxyphenyl)pyrazol-1-yl]phenyl]-4-methylpiperazine (CID 153409932) is 1-[4-[5-(2-fluoro-6-methoxyphenyl)pyrazol-1-yl]phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-[5-(2-fluoro-6-methoxyphenyl)pyrazol-1-yl]phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[4-[5-(2-fluoro-6-methoxyphenyl)pyrazol-1-yl]phenyl]-4-methylpiperazine is COc1cccc(F)c1-c1ccnn1-c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 1-[4-[5-(2-fluoro-6-methoxyphenyl)pyrazol-1-yl]phenyl]-4-methylpiperazine?
The InChIKey is QWPNAKYRWDFIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-24-12-14-25(15-13-24)16-6-8-17(9-7-16)26-19(10-11-23-26)21-18(22)4-3-5-20(21)27-2/h3-11H,12-15H2,1-2H3.
What are the key properties of 1-[4-[5-(2-fluoro-6-methoxyphenyl)pyrazol-1-yl]phenyl]-4-methylpiperazine?
1-[4-[5-(2-fluoro-6-methoxyphenyl)pyrazol-1-yl]phenyl]-4-methylpiperazine has a molecular weight of 366.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2-fluoro-6-methoxyphenyl)pyrazol-1-yl]phenyl]-4-methylpiperazine is sourced from PubChem (CID 153409932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).