1-[(2-fluorophenyl)-phenylmethyl]-4-(1-methylpyrazol-4-yl)piperazine

C21H23FN4 — CID 166326924

IUPAC1-[(2-fluorophenyl)-phenylmethyl]-4-(1-methylpyrazol-4-yl)piperazine
SMILESCn1cc(N2CCN(C(c3ccccc3)c3ccccc3F)CC2)cn1
InChIInChI=1S/C21H23FN4/c1-24-16-18(15-23-24)25-11-13-26(14-12-25)21(17-7-3-2-4-8-17)19-9-5-6-10-20(19)22/h2-10,15-16,21H,11-14H2,1H3
InChIKeyMBUUZESAJSRGFC-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.47
Rot. Bonds4

About 1-[(2-fluorophenyl)-phenylmethyl]-4-(1-methylpyrazol-4-yl)piperazine

1-[(2-fluorophenyl)-phenylmethyl]-4-(1-methylpyrazol-4-yl)piperazine (PubChem CID 166326924) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)-phenylmethyl]-4-(1-methylpyrazol-4-yl)piperazine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)-phenylmethyl]-4-(1-methylpyrazol-4-yl)piperazine
PubChem CID166326924
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name1-[(2-fluorophenyl)-phenylmethyl]-4-(1-methylpyrazol-4-yl)piperazine
SMILESCn1cc(N2CCN(C(c3ccccc3)c3ccccc3F)CC2)cn1
InChIInChI=1S/C21H23FN4/c1-24-16-18(15-23-24)25-11-13-26(14-12-25)21(17-7-3-2-4-8-17)19-9-5-6-10-20(19)22/h2-10,15-16,21H,11-14H2,1H3
InChIKeyMBUUZESAJSRGFC-UHFFFAOYSA-N
XLogP3.47
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)-phenylmethyl]-4-(1-methylpyrazol-4-yl)piperazine?
The IUPAC name of 1-[(2-fluorophenyl)-phenylmethyl]-4-(1-methylpyrazol-4-yl)piperazine (CID 166326924) is 1-[(2-fluorophenyl)-phenylmethyl]-4-(1-methylpyrazol-4-yl)piperazine.
What is the SMILES notation for 1-[(2-fluorophenyl)-phenylmethyl]-4-(1-methylpyrazol-4-yl)piperazine?
The canonical SMILES for 1-[(2-fluorophenyl)-phenylmethyl]-4-(1-methylpyrazol-4-yl)piperazine is Cn1cc(N2CCN(C(c3ccccc3)c3ccccc3F)CC2)cn1.
What is the InChIKey of 1-[(2-fluorophenyl)-phenylmethyl]-4-(1-methylpyrazol-4-yl)piperazine?
The InChIKey is MBUUZESAJSRGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4/c1-24-16-18(15-23-24)25-11-13-26(14-12-25)21(17-7-3-2-4-8-17)19-9-5-6-10-20(19)22/h2-10,15-16,21H,11-14H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)-phenylmethyl]-4-(1-methylpyrazol-4-yl)piperazine?
1-[(2-fluorophenyl)-phenylmethyl]-4-(1-methylpyrazol-4-yl)piperazine has a molecular weight of 350.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)-phenylmethyl]-4-(1-methylpyrazol-4-yl)piperazine is sourced from PubChem (CID 166326924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).