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

C21H24N4O — CID 17449900

IUPAC1-(2-methoxyphenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine
SMILESCOc1ccccc1N1CCN(Cc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C21H24N4O/c1-26-21-10-6-5-9-20(21)24-13-11-23(12-14-24)16-18-15-22-25(17-18)19-7-3-2-4-8-19/h2-10,15,17H,11-14,16H2,1H3
InChIKeyVFDZFYCKUWKAKM-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.20
Rot. Bonds5

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

1-(2-methoxyphenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine (PubChem CID 17449900) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine
PubChem CID17449900
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-(2-methoxyphenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine
SMILESCOc1ccccc1N1CCN(Cc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C21H24N4O/c1-26-21-10-6-5-9-20(21)24-13-11-23(12-14-24)16-18-15-22-25(17-18)19-7-3-2-4-8-19/h2-10,15,17H,11-14,16H2,1H3
InChIKeyVFDZFYCKUWKAKM-UHFFFAOYSA-N
XLogP3.20
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

({1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl}methyl)methyl[(1-phenyl-1H-pyrazol-4-yl)methyl]amine
CID 26325235
6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25072633
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-Methyl-4-(4-{4-[3-(2-Methylpropoxy)pyridin-4-Yl]-1h-Pyrazol-1-Yl}phenyl)piperazine
CID 119058125
1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmethyl)-piperazine
CID 10450375
3-[[4-[2-(2-Fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 24823922
2-[[4-[2-(2-Fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 24824062
1-(2-methoxyphenyl)-4-((1-(pyridin-2-yl)-1H-pyrazol-4-yl)methyl)piperazine
CID 44412482
1-(2-methoxyphenyl)-4-((1-o-tolyl-1H-pyrrol-3-yl)methyl)piperazine
CID 44388858
[4-(2-methoxyphenyl)piperazino](1-phenyl-5-propyl-1H-pyrazol-4-yl)methanone
CID 2811414
N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-(2-methoxyphenyl)-1-piperazinamine
CID 5727548

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine (CID 17449900) is 1-(2-methoxyphenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine is COc1ccccc1N1CCN(Cc2cnn(-c3ccccc3)c2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine?
The InChIKey is VFDZFYCKUWKAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-26-21-10-6-5-9-20(21)24-13-11-23(12-14-24)16-18-15-22-25(17-18)19-7-3-2-4-8-19/h2-10,15,17H,11-14,16H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine?
1-(2-methoxyphenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine has a molecular weight of 348.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 17449900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).