1-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride

C13H17Cl2FN4 — CID 155821881

IUPAC1-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccccc1-c1cc(N2CCNCC2)n[nH]1
InChIInChI=1S/C13H15FN4.2ClH/c14-11-4-2-1-3-10(11)12-9-13(17-16-12)18-7-5-15-6-8-18;;/h1-4,9,15H,5-8H2,(H,16,17);2*1H
InChIKeyTYFOOFQPWJLDPW-UHFFFAOYSA-N
MW319.21 g/mol
LogP2.47
Rot. Bonds2

About 1-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride

1-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride (PubChem CID 155821881) has the molecular formula C13H17Cl2FN4 and a molecular weight of 319.21 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride
PubChem CID155821881
Molecular FormulaC13H17Cl2FN4
Molecular Weight319.21 g/mol
Exact Mass318.08
IUPAC Name1-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccccc1-c1cc(N2CCNCC2)n[nH]1
InChIInChI=1S/C13H15FN4.2ClH/c14-11-4-2-1-3-10(11)12-9-13(17-16-12)18-7-5-15-6-8-18;;/h1-4,9,15H,5-8H2,(H,16,17);2*1H
InChIKeyTYFOOFQPWJLDPW-UHFFFAOYSA-N
XLogP2.47
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride?
The IUPAC name of 1-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride (CID 155821881) is 1-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride?
The canonical SMILES for 1-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride is Cl.Cl.Fc1ccccc1-c1cc(N2CCNCC2)n[nH]1.
What is the InChIKey of 1-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride?
The InChIKey is TYFOOFQPWJLDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4.2ClH/c14-11-4-2-1-3-10(11)12-9-13(17-16-12)18-7-5-15-6-8-18;;/h1-4,9,15H,5-8H2,(H,16,17);2*1H.
What are the key properties of 1-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride?
1-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride has a molecular weight of 319.21 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride is sourced from PubChem (CID 155821881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).