1-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]piperazine

C14H17FN4 — CID 23014240

IUPAC1-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]piperazine
SMILESCc1cc(N2CCNCC2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C14H17FN4/c1-11-9-14(18-7-5-16-6-8-18)19(17-11)13-4-2-3-12(15)10-13/h2-4,9-10,16H,5-8H2,1H3
InChIKeyDJMYNPBJDWZEOY-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.73
Rot. Bonds2

About 1-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]piperazine

1-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]piperazine (PubChem CID 23014240) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]piperazine
PubChem CID23014240
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name1-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]piperazine
SMILESCc1cc(N2CCNCC2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C14H17FN4/c1-11-9-14(18-7-5-16-6-8-18)19(17-11)13-4-2-3-12(15)10-13/h2-4,9-10,16H,5-8H2,1H3
InChIKeyDJMYNPBJDWZEOY-UHFFFAOYSA-N
XLogP1.73
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]piperazine?
The IUPAC name of 1-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]piperazine (CID 23014240) is 1-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]piperazine.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]piperazine?
The canonical SMILES for 1-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]piperazine is Cc1cc(N2CCNCC2)n(-c2cccc(F)c2)n1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]piperazine?
The InChIKey is DJMYNPBJDWZEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-11-9-14(18-7-5-16-6-8-18)19(17-11)13-4-2-3-12(15)10-13/h2-4,9-10,16H,5-8H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]piperazine?
1-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]piperazine has a molecular weight of 260.32 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]piperazine is sourced from PubChem (CID 23014240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).