1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methylpiperazine

C16H21FN4 — CID 1487742

IUPAC1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methylpiperazine
SMILESCN1CCN(CCc2cn[nH]c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN4/c1-20-8-10-21(11-9-20)7-6-14-12-18-19-16(14)13-2-4-15(17)5-3-13/h2-5,12H,6-11H2,1H3,(H,18,19)
InChIKeyGBEXOUIIUXCLAK-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.01
Rot. Bonds4

About 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methylpiperazine

1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methylpiperazine (PubChem CID 1487742) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methylpiperazine
PubChem CID1487742
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methylpiperazine
SMILESCN1CCN(CCc2cn[nH]c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN4/c1-20-8-10-21(11-9-20)7-6-14-12-18-19-16(14)13-2-4-15(17)5-3-13/h2-5,12H,6-11H2,1H3,(H,18,19)
InChIKeyGBEXOUIIUXCLAK-UHFFFAOYSA-N
XLogP2.01
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methylpiperazine (CID 1487742) is 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methylpiperazine is CN1CCN(CCc2cn[nH]c2-c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methylpiperazine?
The InChIKey is GBEXOUIIUXCLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-20-8-10-21(11-9-20)7-6-14-12-18-19-16(14)13-2-4-15(17)5-3-13/h2-5,12H,6-11H2,1H3,(H,18,19).
What are the key properties of 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methylpiperazine?
1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methylpiperazine has a molecular weight of 288.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methylpiperazine is sourced from PubChem (CID 1487742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).