3-[(4-benzylpiperazin-1-yl)methyl]-1,4-diphenylpyrazol-5-amine

C27H29N5 — CID 4850909

IUPAC3-[(4-benzylpiperazin-1-yl)methyl]-1,4-diphenylpyrazol-5-amine
SMILESNc1c(-c2ccccc2)c(CN2CCN(Cc3ccccc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C27H29N5/c28-27-26(23-12-6-2-7-13-23)25(29-32(27)24-14-8-3-9-15-24)21-31-18-16-30(17-19-31)20-22-10-4-1-5-11-22/h1-15H,16-21,28H2
InChIKeyDXGKMCJOHCFIKL-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.44
Rot. Bonds6

About 3-[(4-benzylpiperazin-1-yl)methyl]-1,4-diphenylpyrazol-5-amine

3-[(4-benzylpiperazin-1-yl)methyl]-1,4-diphenylpyrazol-5-amine (PubChem CID 4850909) has the molecular formula C27H29N5 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-[(4-benzylpiperazin-1-yl)methyl]-1,4-diphenylpyrazol-5-amine.

Molecular Properties

Compound Name3-[(4-benzylpiperazin-1-yl)methyl]-1,4-diphenylpyrazol-5-amine
PubChem CID4850909
Molecular FormulaC27H29N5
Molecular Weight423.56 g/mol
Exact Mass423.24
IUPAC Name3-[(4-benzylpiperazin-1-yl)methyl]-1,4-diphenylpyrazol-5-amine
SMILESNc1c(-c2ccccc2)c(CN2CCN(Cc3ccccc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C27H29N5/c28-27-26(23-12-6-2-7-13-23)25(29-32(27)24-14-8-3-9-15-24)21-31-18-16-30(17-19-31)20-22-10-4-1-5-11-22/h1-15H,16-21,28H2
InChIKeyDXGKMCJOHCFIKL-UHFFFAOYSA-N
XLogP4.44
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(4-benzylpiperazin-1-yl)methyl]-1,4-diphenylpyrazol-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-[(4-benzylpiperazin-1-yl)methyl]-1-(4-chlorophenyl)-4-phenylpyrazol-5-amine
CID 2420381
3-[(4-benzylpiperazin-1-yl)methyl]-1-(4-methylphenyl)-4-phenylpyrazol-5-amine
CID 4850904
4-[5-amino-3-(morpholin-4-ylmethyl)-4-phenylpyrazol-1-yl]benzoic acid
CID 2336523
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
6-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667834
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
6-(4-benzylpiperazin-1-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one
CID 71462014
4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine
CID 80756967
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
1-benzylazepane
CID 10954328
1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazine
CID 21478839

Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzylpiperazin-1-yl)methyl]-1,4-diphenylpyrazol-5-amine?
The IUPAC name of 3-[(4-benzylpiperazin-1-yl)methyl]-1,4-diphenylpyrazol-5-amine (CID 4850909) is 3-[(4-benzylpiperazin-1-yl)methyl]-1,4-diphenylpyrazol-5-amine.
What is the SMILES notation for 3-[(4-benzylpiperazin-1-yl)methyl]-1,4-diphenylpyrazol-5-amine?
The canonical SMILES for 3-[(4-benzylpiperazin-1-yl)methyl]-1,4-diphenylpyrazol-5-amine is Nc1c(-c2ccccc2)c(CN2CCN(Cc3ccccc3)CC2)nn1-c1ccccc1.
What is the InChIKey of 3-[(4-benzylpiperazin-1-yl)methyl]-1,4-diphenylpyrazol-5-amine?
The InChIKey is DXGKMCJOHCFIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5/c28-27-26(23-12-6-2-7-13-23)25(29-32(27)24-14-8-3-9-15-24)21-31-18-16-30(17-19-31)20-22-10-4-1-5-11-22/h1-15H,16-21,28H2.
What are the key properties of 3-[(4-benzylpiperazin-1-yl)methyl]-1,4-diphenylpyrazol-5-amine?
3-[(4-benzylpiperazin-1-yl)methyl]-1,4-diphenylpyrazol-5-amine has a molecular weight of 423.56 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzylpiperazin-1-yl)methyl]-1,4-diphenylpyrazol-5-amine is sourced from PubChem (CID 4850909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).