1-benzyl-4-(3-methyl-4-phenylpyrazol-1-yl)piperidine

C22H25N3 — CID 21219157

IUPAC1-benzyl-4-(3-methyl-4-phenylpyrazol-1-yl)piperidine
SMILESCc1nn(C2CCN(Cc3ccccc3)CC2)cc1-c1ccccc1
InChIInChI=1S/C22H25N3/c1-18-22(20-10-6-3-7-11-20)17-25(23-18)21-12-14-24(15-13-21)16-19-8-4-2-5-9-19/h2-11,17,21H,12-16H2,1H3
InChIKeyRFIMVYUKZRXUJB-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.70
Rot. Bonds4

About 1-benzyl-4-(3-methyl-4-phenylpyrazol-1-yl)piperidine

1-benzyl-4-(3-methyl-4-phenylpyrazol-1-yl)piperidine (PubChem CID 21219157) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-benzyl-4-(3-methyl-4-phenylpyrazol-1-yl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(3-methyl-4-phenylpyrazol-1-yl)piperidine
PubChem CID21219157
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name1-benzyl-4-(3-methyl-4-phenylpyrazol-1-yl)piperidine
SMILESCc1nn(C2CCN(Cc3ccccc3)CC2)cc1-c1ccccc1
InChIInChI=1S/C22H25N3/c1-18-22(20-10-6-3-7-11-20)17-25(23-18)21-12-14-24(15-13-21)16-19-8-4-2-5-9-19/h2-11,17,21H,12-16H2,1H3
InChIKeyRFIMVYUKZRXUJB-UHFFFAOYSA-N
XLogP4.70
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-4-(3-methyl-4-phenylpyrazol-1-yl)piperidine 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-4-(3-methyl-4-phenylpyrazol-1-yl)piperidine?
The IUPAC name of 1-benzyl-4-(3-methyl-4-phenylpyrazol-1-yl)piperidine (CID 21219157) is 1-benzyl-4-(3-methyl-4-phenylpyrazol-1-yl)piperidine.
What is the SMILES notation for 1-benzyl-4-(3-methyl-4-phenylpyrazol-1-yl)piperidine?
The canonical SMILES for 1-benzyl-4-(3-methyl-4-phenylpyrazol-1-yl)piperidine is Cc1nn(C2CCN(Cc3ccccc3)CC2)cc1-c1ccccc1.
What is the InChIKey of 1-benzyl-4-(3-methyl-4-phenylpyrazol-1-yl)piperidine?
The InChIKey is RFIMVYUKZRXUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-18-22(20-10-6-3-7-11-20)17-25(23-18)21-12-14-24(15-13-21)16-19-8-4-2-5-9-19/h2-11,17,21H,12-16H2,1H3.
What are the key properties of 1-benzyl-4-(3-methyl-4-phenylpyrazol-1-yl)piperidine?
1-benzyl-4-(3-methyl-4-phenylpyrazol-1-yl)piperidine has a molecular weight of 331.46 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-methyl-4-phenylpyrazol-1-yl)piperidine is sourced from PubChem (CID 21219157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).