(1-benzyl-3-phenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C26H25N5O — CID 9439395

IUPAC(1-benzyl-3-phenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C26H25N5O/c32-26(30-17-15-29(16-18-30)24-13-7-8-14-27-24)23-20-31(19-21-9-3-1-4-10-21)28-25(23)22-11-5-2-6-12-22/h1-14,20H,15-19H2
InChIKeyFATKLSGRRNOSBO-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.96
Rot. Bonds5

About (1-benzyl-3-phenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(1-benzyl-3-phenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 9439395) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is (1-benzyl-3-phenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-3-phenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID9439395
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name(1-benzyl-3-phenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C26H25N5O/c32-26(30-17-15-29(16-18-30)24-13-7-8-14-27-24)23-20-31(19-21-9-3-1-4-10-21)28-25(23)22-11-5-2-6-12-22/h1-14,20H,15-19H2
InChIKeyFATKLSGRRNOSBO-UHFFFAOYSA-N
XLogP3.96
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-benzyl-3-phenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-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-phenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-benzyl-3-phenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 9439395) is (1-benzyl-3-phenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-benzyl-3-phenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-benzyl-3-phenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (1-benzyl-3-phenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FATKLSGRRNOSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c32-26(30-17-15-29(16-18-30)24-13-7-8-14-27-24)23-20-31(19-21-9-3-1-4-10-21)28-25(23)22-11-5-2-6-12-22/h1-14,20H,15-19H2.
What are the key properties of (1-benzyl-3-phenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(1-benzyl-3-phenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 423.52 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3-phenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 9439395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).