2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]pyrazine;hydrochloride

C18H20ClFN6 — CID 68597368

IUPAC2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]pyrazine;hydrochloride
SMILESCl.Fc1ccc(-c2nccnc2N2CCN(Cc3cn[nH]c3)CC2)cc1
InChIInChI=1S/C18H19FN6.ClH/c19-16-3-1-15(2-4-16)17-18(21-6-5-20-17)25-9-7-24(8-10-25)13-14-11-22-23-12-14;/h1-6,11-12H,7-10,13H2,(H,22,23);1H
InChIKeyCNMXLRIQYOFGJU-UHFFFAOYSA-N
MW374.85 g/mol
LogP2.75
Rot. Bonds4

About 2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]pyrazine;hydrochloride

2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]pyrazine;hydrochloride (PubChem CID 68597368) has the molecular formula C18H20ClFN6 and a molecular weight of 374.85 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]pyrazine;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]pyrazine;hydrochloride
PubChem CID68597368
Molecular FormulaC18H20ClFN6
Molecular Weight374.85 g/mol
Exact Mass374.14
IUPAC Name2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]pyrazine;hydrochloride
SMILESCl.Fc1ccc(-c2nccnc2N2CCN(Cc3cn[nH]c3)CC2)cc1
InChIInChI=1S/C18H19FN6.ClH/c19-16-3-1-15(2-4-16)17-18(21-6-5-20-17)25-9-7-24(8-10-25)13-14-11-22-23-12-14;/h1-6,11-12H,7-10,13H2,(H,22,23);1H
InChIKeyCNMXLRIQYOFGJU-UHFFFAOYSA-N
XLogP2.75
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]pyrazine;hydrochloride?
The IUPAC name of 2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]pyrazine;hydrochloride (CID 68597368) is 2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]pyrazine;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]pyrazine;hydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]pyrazine;hydrochloride is Cl.Fc1ccc(-c2nccnc2N2CCN(Cc3cn[nH]c3)CC2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]pyrazine;hydrochloride?
The InChIKey is CNMXLRIQYOFGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6.ClH/c19-16-3-1-15(2-4-16)17-18(21-6-5-20-17)25-9-7-24(8-10-25)13-14-11-22-23-12-14;/h1-6,11-12H,7-10,13H2,(H,22,23);1H.
What are the key properties of 2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]pyrazine;hydrochloride?
2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]pyrazine;hydrochloride has a molecular weight of 374.85 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]pyrazine;hydrochloride is sourced from PubChem (CID 68597368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).