1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine

C16H22N4O — CID 2812601

IUPAC1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine
SMILESCOc1ccc(-c2[nH]ncc2CN2CCN(C)CC2)cc1
InChIInChI=1S/C16H22N4O/c1-19-7-9-20(10-8-19)12-14-11-17-18-16(14)13-3-5-15(21-2)6-4-13/h3-6,11H,7-10,12H2,1-2H3,(H,17,18)
InChIKeyVKIGEGBBIFEMOM-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.83
Rot. Bonds4

About 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine

1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine (PubChem CID 2812601) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine
PubChem CID2812601
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine
SMILESCOc1ccc(-c2[nH]ncc2CN2CCN(C)CC2)cc1
InChIInChI=1S/C16H22N4O/c1-19-7-9-20(10-8-19)12-14-11-17-18-16(14)13-3-5-15(21-2)6-4-13/h3-6,11H,7-10,12H2,1-2H3,(H,17,18)
InChIKeyVKIGEGBBIFEMOM-UHFFFAOYSA-N
XLogP1.83
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Epz020411
CID 91668547
5-(4-phenoxyphenyl)-1H-pyrazole
CID 2806138
2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
4-(5-(4-Methoxyphenyl)-1H-pyrazol-3-yl)piperidine
CID 1486801
4-(4-methoxyphenyl)-3-methyl-1H-pyrazole
CID 2805464
5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole
CID 2806185
1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(2-methoxyphenyl)piperazine
CID 2812421
1-(2-ethoxyphenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812423
1-(4-fluorophenyl)-4-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812599
3-(4-Methoxyphenyl)-1H-Pyrazole
CID 599984
N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-propylpiperidin-4-amine
CID 16190345
1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 2812586

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine (CID 2812601) is 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine is COc1ccc(-c2[nH]ncc2CN2CCN(C)CC2)cc1.
What is the InChIKey of 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine?
The InChIKey is VKIGEGBBIFEMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19-7-9-20(10-8-19)12-14-11-17-18-16(14)13-3-5-15(21-2)6-4-13/h3-6,11H,7-10,12H2,1-2H3,(H,17,18).
What are the key properties of 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine?
1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine has a molecular weight of 286.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 2812601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).