3-[(4-benzylpiperazin-1-yl)methyl]-1-(4-methylphenyl)-4-phenylpyrazol-5-amine

C28H31N5 — CID 4850904

IUPAC3-[(4-benzylpiperazin-1-yl)methyl]-1-(4-methylphenyl)-4-phenylpyrazol-5-amine
SMILESCc1ccc(-n2nc(CN3CCN(Cc4ccccc4)CC3)c(-c3ccccc3)c2N)cc1
InChIInChI=1S/C28H31N5/c1-22-12-14-25(15-13-22)33-28(29)27(24-10-6-3-7-11-24)26(30-33)21-32-18-16-31(17-19-32)20-23-8-4-2-5-9-23/h2-15H,16-21,29H2,1H3
InChIKeyIRFOTDKFFWADPY-UHFFFAOYSA-N
MW437.59 g/mol
LogP4.75
Rot. Bonds6

About 3-[(4-benzylpiperazin-1-yl)methyl]-1-(4-methylphenyl)-4-phenylpyrazol-5-amine

3-[(4-benzylpiperazin-1-yl)methyl]-1-(4-methylphenyl)-4-phenylpyrazol-5-amine (PubChem CID 4850904) has the molecular formula C28H31N5 and a molecular weight of 437.59 g/mol. Its IUPAC name is 3-[(4-benzylpiperazin-1-yl)methyl]-1-(4-methylphenyl)-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-[(4-benzylpiperazin-1-yl)methyl]-1-(4-methylphenyl)-4-phenylpyrazol-5-amine
PubChem CID4850904
Molecular FormulaC28H31N5
Molecular Weight437.59 g/mol
Exact Mass437.26
IUPAC Name3-[(4-benzylpiperazin-1-yl)methyl]-1-(4-methylphenyl)-4-phenylpyrazol-5-amine
SMILESCc1ccc(-n2nc(CN3CCN(Cc4ccccc4)CC3)c(-c3ccccc3)c2N)cc1
InChIInChI=1S/C28H31N5/c1-22-12-14-25(15-13-22)33-28(29)27(24-10-6-3-7-11-24)26(30-33)21-32-18-16-31(17-19-32)20-23-8-4-2-5-9-23/h2-15H,16-21,29H2,1H3
InChIKeyIRFOTDKFFWADPY-UHFFFAOYSA-N
XLogP4.75
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-benzylpiperazin-1-yl)methyl]-1,4-diphenylpyrazol-5-amine
CID 4850909
3-[(4-benzylpiperazin-1-yl)methyl]-1-(4-chlorophenyl)-4-phenylpyrazol-5-amine
CID 2420381
1-benzyl-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine
CID 19106707
1-(4-bromophenyl)-3-(methoxymethyl)-4-phenylpyrazol-5-amine
CID 17381507
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-[[4-(4-methylphenyl)piperazin-1-yl]methyl]aniline
CID 21331844
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
(4-benzylpiperazin-1-yl)-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]methanone
CID 42755463
3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]aniline
CID 135126748
4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine
CID 80756967
6-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667834
(4-benzylpiperazin-1-yl)-[3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2022815

Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzylpiperazin-1-yl)methyl]-1-(4-methylphenyl)-4-phenylpyrazol-5-amine?
The IUPAC name of 3-[(4-benzylpiperazin-1-yl)methyl]-1-(4-methylphenyl)-4-phenylpyrazol-5-amine (CID 4850904) is 3-[(4-benzylpiperazin-1-yl)methyl]-1-(4-methylphenyl)-4-phenylpyrazol-5-amine.
What is the SMILES notation for 3-[(4-benzylpiperazin-1-yl)methyl]-1-(4-methylphenyl)-4-phenylpyrazol-5-amine?
The canonical SMILES for 3-[(4-benzylpiperazin-1-yl)methyl]-1-(4-methylphenyl)-4-phenylpyrazol-5-amine is Cc1ccc(-n2nc(CN3CCN(Cc4ccccc4)CC3)c(-c3ccccc3)c2N)cc1.
What is the InChIKey of 3-[(4-benzylpiperazin-1-yl)methyl]-1-(4-methylphenyl)-4-phenylpyrazol-5-amine?
The InChIKey is IRFOTDKFFWADPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5/c1-22-12-14-25(15-13-22)33-28(29)27(24-10-6-3-7-11-24)26(30-33)21-32-18-16-31(17-19-32)20-23-8-4-2-5-9-23/h2-15H,16-21,29H2,1H3.
What are the key properties of 3-[(4-benzylpiperazin-1-yl)methyl]-1-(4-methylphenyl)-4-phenylpyrazol-5-amine?
3-[(4-benzylpiperazin-1-yl)methyl]-1-(4-methylphenyl)-4-phenylpyrazol-5-amine has a molecular weight of 437.59 g/mol, XLogP of 4.75, 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-methylphenyl)-4-phenylpyrazol-5-amine is sourced from PubChem (CID 4850904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).