1-ethyl-4-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]piperazine

C22H25FN4 — CID 67244078

IUPAC1-ethyl-4-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]piperazine
SMILESCCN1CCN(C(c2ccc(-c3ccc(F)cc3)cc2)c2cn[nH]c2)CC1
InChIInChI=1S/C22H25FN4/c1-2-26-11-13-27(14-12-26)22(20-15-24-25-16-20)19-5-3-17(4-6-19)18-7-9-21(23)10-8-18/h3-10,15-16,22H,2,11-14H2,1H3,(H,24,25)
InChIKeyRHODGOLRQSYCQJ-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.94
Rot. Bonds5

About 1-ethyl-4-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]piperazine

1-ethyl-4-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]piperazine (PubChem CID 67244078) has the molecular formula C22H25FN4 and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-ethyl-4-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]piperazine
PubChem CID67244078
Molecular FormulaC22H25FN4
Molecular Weight364.47 g/mol
Exact Mass364.21
IUPAC Name1-ethyl-4-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]piperazine
SMILESCCN1CCN(C(c2ccc(-c3ccc(F)cc3)cc2)c2cn[nH]c2)CC1
InChIInChI=1S/C22H25FN4/c1-2-26-11-13-27(14-12-26)22(20-15-24-25-16-20)19-5-3-17(4-6-19)18-7-9-21(23)10-8-18/h3-10,15-16,22H,2,11-14H2,1H3,(H,24,25)
InChIKeyRHODGOLRQSYCQJ-UHFFFAOYSA-N
XLogP3.94
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-ethyl-4-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]piperazine (CID 67244078) is 1-ethyl-4-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]piperazine is CCN1CCN(C(c2ccc(-c3ccc(F)cc3)cc2)c2cn[nH]c2)CC1.
What is the InChIKey of 1-ethyl-4-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]piperazine?
The InChIKey is RHODGOLRQSYCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4/c1-2-26-11-13-27(14-12-26)22(20-15-24-25-16-20)19-5-3-17(4-6-19)18-7-9-21(23)10-8-18/h3-10,15-16,22H,2,11-14H2,1H3,(H,24,25).
What are the key properties of 1-ethyl-4-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]piperazine?
1-ethyl-4-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]piperazine has a molecular weight of 364.47 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[4-(4-fluorophenyl)phenyl]-(1H-pyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 67244078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).