(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C28H27FN4O2 — CID 16925615

IUPAC(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2)nc1OCc1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C28H27FN4O2/c29-25-13-7-8-14-26(25)31-15-17-32(18-16-31)28(34)24-20-33(19-22-9-3-1-4-10-22)30-27(24)35-21-23-11-5-2-6-12-23/h1-14,20H,15-19,21H2
InChIKeyDZNITUZSRUZTDQ-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.61
Rot. Bonds7

About (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 16925615) has the molecular formula C28H27FN4O2 and a molecular weight of 470.55 g/mol. Its IUPAC name is (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID16925615
Molecular FormulaC28H27FN4O2
Molecular Weight470.55 g/mol
Exact Mass470.21
IUPAC Name(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2)nc1OCc1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C28H27FN4O2/c29-25-13-7-8-14-26(25)31-15-17-32(18-16-31)28(34)24-20-33(19-22-9-3-1-4-10-22)30-27(24)35-21-23-11-5-2-6-12-23/h1-14,20H,15-19,21H2
InChIKeyDZNITUZSRUZTDQ-UHFFFAOYSA-N
XLogP4.61
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 16925615) is (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1cn(Cc2ccccc2)nc1OCc1ccccc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is DZNITUZSRUZTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O2/c29-25-13-7-8-14-26(25)31-15-17-32(18-16-31)28(34)24-20-33(19-22-9-3-1-4-10-22)30-27(24)35-21-23-11-5-2-6-12-23/h1-14,20H,15-19,21H2.
What are the key properties of (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 470.55 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 16925615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).