1-[(2-methoxyphenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine

C23H28N4O — CID 77082596

IUPAC1-[(2-methoxyphenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine
SMILESCOc1ccccc1CN1CCN(Cc2cn(-c3ccccc3)nc2C)CC1
InChIInChI=1S/C23H28N4O/c1-19-21(18-27(24-19)22-9-4-3-5-10-22)17-26-14-12-25(13-15-26)16-20-8-6-7-11-23(20)28-2/h3-11,18H,12-17H2,1-2H3
InChIKeyBMUVWDQNYHBEQD-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.51
Rot. Bonds6

About 1-[(2-methoxyphenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine

1-[(2-methoxyphenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine (PubChem CID 77082596) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine
PubChem CID77082596
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1-[(2-methoxyphenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine
SMILESCOc1ccccc1CN1CCN(Cc2cn(-c3ccccc3)nc2C)CC1
InChIInChI=1S/C23H28N4O/c1-19-21(18-27(24-19)22-9-4-3-5-10-22)17-26-14-12-25(13-15-26)16-20-8-6-7-11-23(20)28-2/h3-11,18H,12-17H2,1-2H3
InChIKeyBMUVWDQNYHBEQD-UHFFFAOYSA-N
XLogP3.51
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-fluorophenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine
CID 56885373
4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine
CID 77091492
1-benzyl-4-[(2-methoxyphenyl)methyl]-1,4-diazepane
CID 112808306
1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126311
3-(3-methoxypropyl)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine
CID 70745905
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
1-[(4-fluorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 2874958
1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine
CID 750588
(3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770086
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1360129
1-[(4-chloro-1-phenylpyrazol-3-yl)methyl]-4-(2-methoxyphenyl)-1,4-diazepane
CID 70809660
3-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 712566

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine (CID 77082596) is 1-[(2-methoxyphenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine is COc1ccccc1CN1CCN(Cc2cn(-c3ccccc3)nc2C)CC1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine?
The InChIKey is BMUVWDQNYHBEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-19-21(18-27(24-19)22-9-4-3-5-10-22)17-26-14-12-25(13-15-26)16-20-8-6-7-11-23(20)28-2/h3-11,18H,12-17H2,1-2H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine?
1-[(2-methoxyphenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine has a molecular weight of 376.50 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 77082596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).