1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazine

C23H28N4O — CID 21478839

IUPAC1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(Cc3n[nH]c(C)c3-c3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N4O/c1-18-23(20-6-4-3-5-7-20)22(25-24-18)17-27-14-12-26(13-15-27)16-19-8-10-21(28-2)11-9-19/h3-11H,12-17H2,1-2H3,(H,24,25)
InChIKeyZKQZNNCIQLRSGN-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.71
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazine

1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazine (PubChem CID 21478839) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazine
PubChem CID21478839
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(Cc3n[nH]c(C)c3-c3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N4O/c1-18-23(20-6-4-3-5-7-20)22(25-24-18)17-27-14-12-26(13-15-27)16-19-8-10-21(28-2)11-9-19/h3-11H,12-17H2,1-2H3,(H,24,25)
InChIKeyZKQZNNCIQLRSGN-UHFFFAOYSA-N
XLogP3.71
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
1-[(4-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 791315
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
1-[(4-methoxyphenyl)methyl]-4-(2-phenoxypropyl)piperazine
CID 21472218
4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine
CID 102519654
1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine
CID 155537825
1-benzyl-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine
CID 19106707
2-(4-methoxyphenyl)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 50762160
1,4-bis[(3,5-difluorophenyl)methyl]-7,10-bis[[4-[4-[[4,7,10-tris[(4-methoxyphenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]phenyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane
CID 177488325
(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 57403942
7-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 126466691
7-[(4-methoxyphenyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930303

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazine (CID 21478839) is 1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazine is COc1ccc(CN2CCN(Cc3n[nH]c(C)c3-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazine?
The InChIKey is ZKQZNNCIQLRSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-18-23(20-6-4-3-5-7-20)22(25-24-18)17-27-14-12-26(13-15-27)16-19-8-10-21(28-2)11-9-19/h3-11H,12-17H2,1-2H3,(H,24,25).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazine?
1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazine has a molecular weight of 376.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 21478839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).